2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid

C14H16N4O2 — CID 107554285

IUPAC2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCCc1cccnc1CNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-3-10-5-4-6-15-12(10)8-16-14-17-9(2)7-11(18-14)13(19)20/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyXHUXZKGAZPGBKK-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.05
Rot. Bonds5

About 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid

2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554285) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554285
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCCc1cccnc1CNc1nc(C)cc(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-3-10-5-4-6-15-12(10)8-16-14-17-9(2)7-11(18-14)13(19)20/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyXHUXZKGAZPGBKK-UHFFFAOYSA-N
XLogP2.05
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-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

4-[(3-ethyl-2-pyridinyl)methylamino]-3,5-difluorobenzoic acid
CID 82737243
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832
N-[(3-ethyl-2-pyridinyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82739374
6-methyl-2-[(5-methylpyrazin-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553849
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
2-[(2-ethylphenyl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547600
methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
CID 82739095

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107554285) is 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid is CCc1cccnc1CNc1nc(C)cc(C(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is XHUXZKGAZPGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-10-5-4-6-15-12(10)8-16-14-17-9(2)7-11(18-14)13(19)20/h4-7H,3,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).