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

C15H14N6O2 — CID 118324376

IUPAC2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(-c2ccc(N)nc2)nc1-c1ccnn1C
InChIInChI=1S/C15H14N6O2/c1-8-12(10-5-6-18-21(10)2)19-14(20-13(8)15(22)23)9-3-4-11(16)17-7-9/h3-7H,1-2H3,(H2,16,17)(H,22,23)
InChIKeyFXBGYSLIUPULLU-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.53
Rot. Bonds3

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

2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 118324376) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
PubChem CID118324376
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1c(C(=O)O)nc(-c2ccc(N)nc2)nc1-c1ccnn1C
InChIInChI=1S/C15H14N6O2/c1-8-12(10-5-6-18-21(10)2)19-14(20-13(8)15(22)23)9-3-4-11(16)17-7-9/h3-7H,1-2H3,(H2,16,17)(H,22,23)
InChIKeyFXBGYSLIUPULLU-UHFFFAOYSA-N
XLogP1.53
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid (CID 118324376) is 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid is Cc1c(C(=O)O)nc(-c2ccc(N)nc2)nc1-c1ccnn1C.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is FXBGYSLIUPULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-8-12(10-5-6-18-21(10)2)19-14(20-13(8)15(22)23)9-3-4-11(16)17-7-9/h3-7H,1-2H3,(H2,16,17)(H,22,23).
What are the key properties of 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 118324376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).