2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

C16H23N5O3 — CID 174734138

IUPAC2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCC(N)CNc1nccc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H23N5O3/c1-22-10-11(17)9-19-16-18-7-6-15(21-16)20-12-4-5-13(23-2)14(8-12)24-3/h4-8,11H,9-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyFOROHNFSQYWXJG-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.62
Rot. Bonds9

About 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine

2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 174734138) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID174734138
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCC(N)CNc1nccc(Nc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C16H23N5O3/c1-22-10-11(17)9-19-16-18-7-6-15(21-16)20-12-4-5-13(23-2)14(8-12)24-3/h4-8,11H,9-10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyFOROHNFSQYWXJG-UHFFFAOYSA-N
XLogP1.62
TPSA103.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)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

2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174734102
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 82861467
amino-[5-chloro-3-[[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-pyridinyl]methanol
CID 176696504
2-N-(4-tert-butylphenyl)-4-N-(3-chloro-4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903407
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
4-N-(3,4-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892366

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine (CID 174734138) is 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine is COCC(N)CNc1nccc(Nc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FOROHNFSQYWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-22-10-11(17)9-19-16-18-7-6-15(21-16)20-12-4-5-13(23-2)14(8-12)24-3/h4-8,11H,9-10,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 333.39 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174734138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).