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FAPy-adenine

CAT: 0127-BUP21405Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21405Size:2 mg
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CAS Number
5122-36-1
MDL Number
MFCD00047382
Purity
=98%
Smiles
Nc1ncnc(N)c1NC=O

Chemical Information

4,6-Diamino-5-formamidopyrimidine

4,6-diamino-5-formamidopyrimidine is a member of the class of aminopyrimidines that is 4,6-diaminopyrimidine bearing an additional formamido substituent at position 5. A DNA lesion formed when DNA exposed to ionising radiation. It is an aminopyrimidine and a formamidopyrimidine.

CAS Number5122-36-1
PubChem CID114926
IUPAC NameN-(4,6-diaminopyrimidin-5-yl)formamide
Molecular FormulaC5H7N5O
Molecular Weight153.14
XLogP-1.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity131
SMILES
C1=NC(=C(C(=N1)N)NC=O)N
InChI
InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)
InChIKey
MVYUVUOSXNYQLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Diamino-5-formamidopyrimidine
CAS: 5122-36-1
CID: 114926
Formula: C5H7N5O
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass153.06505986
Monoisotopic Mass153.06505986
Topological Polar Surface Area107 Ų
Heavy Atom Count11
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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