4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C18H19N5O3 — CID 20826919

IUPAC4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3ccccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O3/c1-24-13-10-12(11-14(25-2)17(13)26-3)21-18-20-9-7-16(23-18)22-15-6-4-5-8-19-15/h4-11H,1-3H3,(H2,19,20,21,22,23)
InChIKeyVBXMNDHXPKBZOQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.38
Rot. Bonds7

About 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 20826919) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID20826919
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3ccccn3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O3/c1-24-13-10-12(11-14(25-2)17(13)26-3)21-18-20-9-7-16(23-18)22-15-6-4-5-8-19-15/h4-11H,1-3H3,(H2,19,20,21,22,23)
InChIKeyVBXMNDHXPKBZOQ-UHFFFAOYSA-N
XLogP3.38
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tamatinib
CID 11213558
2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2,4-Disubstituted Pyrimidine 2h
CID 5329421
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 5330462
Casein Kinase II Inhibitor IV
CID 11453158
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521015
4-Pyridin-3-yloxy-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521016

Frequently Asked Questions

What is the IUPAC name of 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 20826919) is 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nccc(Nc3ccccn3)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VBXMNDHXPKBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-24-13-10-12(11-14(25-2)17(13)26-3)21-18-20-9-7-16(23-18)22-15-6-4-5-8-19-15/h4-11H,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 353.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyridin-2-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 20826919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).