4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid

C12H12N4O2 — CID 114879069

IUPAC4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1ccncc1-c1nc(C)c(C(=O)O)c(N)n1
InChIInChI=1S/C12H12N4O2/c1-6-3-4-14-5-8(6)11-15-7(2)9(12(17)18)10(13)16-11/h3-5H,1-2H3,(H,17,18)(H2,13,15,16)
InChIKeyUNNWLGBEPRYTBV-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.44
Rot. Bonds2

About 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid

4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid (PubChem CID 114879069) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
PubChem CID114879069
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1ccncc1-c1nc(C)c(C(=O)O)c(N)n1
InChIInChI=1S/C12H12N4O2/c1-6-3-4-14-5-8(6)11-15-7(2)9(12(17)18)10(13)16-11/h3-5H,1-2H3,(H,17,18)(H2,13,15,16)
InChIKeyUNNWLGBEPRYTBV-UHFFFAOYSA-N
XLogP1.44
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
CID 114878657
4-amino-6-methyl-2-(5-methylpyrimidin-2-yl)pyrimidine-5-carboxylic acid
CID 116647320
4-amino-6-methyl-2-(2-methylphenyl)pyrimidine-5-carboxamide
CID 116648136
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 155338271
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
4-amino-6-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 116648034
4-amino-2-(5-bromo-2-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 112751747
2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 114878680
4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879019
4-(4-methyl-3-pyridinyl)-6-propyl-1,3,5-triazin-2-amine
CID 114879021
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
4-amino-6-methyl-2-(3-methyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 116648075

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid (CID 114879069) is 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid is Cc1ccncc1-c1nc(C)c(C(=O)O)c(N)n1.
What is the InChIKey of 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The InChIKey is UNNWLGBEPRYTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-6-3-4-14-5-8(6)11-15-7(2)9(12(17)18)10(13)16-11/h3-5H,1-2H3,(H,17,18)(H2,13,15,16).
What are the key properties of 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).