4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid

C13H14N4O2 — CID 83181382

IUPAC4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCc1cccc(CNc2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C13H14N4O2/c1-8-4-3-5-10(16-8)6-14-13-15-7-11(12(18)19)9(2)17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyFQJXKBOSUMKBJD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.80
Rot. Bonds4

About 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid

4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 83181382) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID83181382
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
SMILESCc1cccc(CNc2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C13H14N4O2/c1-8-4-3-5-10(16-8)6-14-13-15-7-11(12(18)19)9(2)17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyFQJXKBOSUMKBJD-UHFFFAOYSA-N
XLogP1.80
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Anthranilic acid, N-(6-(2-aminopyrimidinyl))-
CID 35750
2-{[2-(Butylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647246
Ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylic Acid
CID 3792107
2-Amino-4-phenylpyrimidine-5-carboxylic acid
CID 254927
N-hydroxy-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 57382294
2-(4-Fluorophenyl)-4-(4-pyridyl)-5-pyrimidinecarboxylic acid
CID 90488048
2-(3-Fluorophenyl)-4-(2-methylpropyl)pyrimidine-5-carboxylic acid
CID 162674489
2-Methyl-4-phenylpyrimidine-5-carboxylic acid
CID 2776510
2-(Benzylamino)-4-methylpyrimidine-5-carboxylic acid
CID 16653152
2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid
CID 24903633
4-({[4-(Pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid
CID 59736947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid (CID 83181382) is 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid is Cc1cccc(CNc2ncc(C(=O)O)c(C)n2)n1.
What is the InChIKey of 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is FQJXKBOSUMKBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-4-3-5-10(16-8)6-14-13-15-7-11(12(18)19)9(2)17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid?
4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).