N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine

C14H17N3O3 — CID 62203643

IUPACN-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(OC)c(OC)c2OC)n1
InChIInChI=1S/C14H17N3O3/c1-15-11-7-8-16-14(17-11)9-5-6-10(18-2)13(20-4)12(9)19-3/h5-8H,1-4H3,(H,15,16,17)
InChIKeyIJFZKGXVETUGDX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine

N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 62203643) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID62203643
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
SMILESCNc1ccnc(-c2ccc(OC)c(OC)c2OC)n1
InChIInChI=1S/C14H17N3O3/c1-15-11-7-8-16-14(17-11)9-5-6-10(18-2)13(20-4)12(9)19-3/h5-8H,1-4H3,(H,15,16,17)
InChIKeyIJFZKGXVETUGDX-UHFFFAOYSA-N
XLogP2.21
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine 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-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
2-[[2-(4-methoxynaphthalen-1-yl)pyrimidin-4-yl]amino]acetic acid
CID 122572557
2-(5-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 62389112
ethane;2-methoxy-N-methylpyrimidin-4-amine
CID 169237983
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
4,6-dichloro-5-fluoro-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 80550935
4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
5-(3,4-dimethoxyphenyl)-N,6-dimethylpyridin-2-amine
CID 123389568
4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 60996661
4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine
CID 103524050

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine (CID 62203643) is N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine is CNc1ccnc(-c2ccc(OC)c(OC)c2OC)n1.
What is the InChIKey of N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is IJFZKGXVETUGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-15-11-7-8-16-14(17-11)9-5-6-10(18-2)13(20-4)12(9)19-3/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine?
N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62203643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).