Wnt agonist 1 10mg

CAT: 0628-A15851-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A15851-10Size:10 mg

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CAS Number

853220-52-7

Chemical Information

N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine

N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine is a member of pyrimidines.

CAS Number	853220-52-7
PubChem CID	11210285
IUPAC Name	4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Molecular Formula	C19H18N4O3
Molecular Weight	350.4
XLogP	3.1
Topological Polar Surface Area	91.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	455

SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)

InChIKey

FABQUVYDAXWUQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 853220-52-7

CID: 11210285

Formula: C19H18N4O3

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	350.13789045
Monoisotopic Mass	350.13789045
Topological Polar Surface Area	91.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	455
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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