2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid

C14H15N3O4 — CID 107553954

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2nccc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-16-14-15-6-5-11(17-14)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMFVPIMWCNZZVKZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.80
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid

2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553954) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID107553954
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccc(CNc2nccc(C(=O)O)n2)c(OC)c1
InChIInChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-16-14-15-6-5-11(17-14)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMFVPIMWCNZZVKZ-UHFFFAOYSA-N
XLogP1.80
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid 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-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
5-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 138596099
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
7-[(2,4-dimethoxyphenyl)methylamino]thieno[2,3-c]pyridine-2-carboxamide
CID 163225385
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid (CID 107553954) is 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is COc1ccc(CNc2nccc(C(=O)O)n2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is MFVPIMWCNZZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-10-4-3-9(12(7-10)21-2)8-16-14-15-6-5-11(17-14)13(18)19/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid?
2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).