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

C11H10N4O2 — CID 116640950

IUPAC4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1ccnc(-c2ncc(C(=O)O)c(N)n2)c1
InChIInChI=1S/C11H10N4O2/c1-6-2-3-13-8(4-6)10-14-5-7(11(16)17)9(12)15-10/h2-5H,1H3,(H,16,17)(H2,12,14,15)
InChIKeyQZMADEPNVYYALO-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.13
Rot. Bonds2

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

4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid (PubChem CID 116640950) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
PubChem CID116640950
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1ccnc(-c2ncc(C(=O)O)c(N)n2)c1
InChIInChI=1S/C11H10N4O2/c1-6-2-3-13-8(4-6)10-14-5-7(11(16)17)9(12)15-10/h2-5H,1H3,(H,16,17)(H2,12,14,15)
InChIKeyQZMADEPNVYYALO-UHFFFAOYSA-N
XLogP1.13
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
4-amino-2-(3-methylimidazol-4-yl)pyrimidine-5-carboxylic acid
CID 116640834
6-methyl-2-(4-methyl-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 63839625
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
benzoic acid;2-fluoro-4-methylpyridine
CID 174435105
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-imidazole-4-carboxylic acid
CID 136991739
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid (CID 116640950) is 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid is Cc1ccnc(-c2ncc(C(=O)O)c(N)n2)c1.
What is the InChIKey of 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid?
The InChIKey is QZMADEPNVYYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-6-2-3-13-8(4-6)10-14-5-7(11(16)17)9(12)15-10/h2-5H,1H3,(H,16,17)(H2,12,14,15).
What are the key properties of 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid?
4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid has a molecular weight of 230.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).