2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

C14H15N3O2 — CID 114878680

IUPAC2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ccncc1-c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C14H15N3O2/c1-8(2)12-11(14(18)19)7-16-13(17-12)10-6-15-5-4-9(10)3/h4-8H,1-3H3,(H,18,19)
InChIKeyZTOGJTWIBAMCTQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds3

About 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 114878680) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID114878680
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ccncc1-c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C14H15N3O2/c1-8(2)12-11(14(18)19)7-16-13(17-12)10-6-15-5-4-9(10)3/h4-8H,1-3H3,(H,18,19)
InChIKeyZTOGJTWIBAMCTQ-UHFFFAOYSA-N
XLogP2.67
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62388782
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
[2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidin-5-yl]methanamine
CID 114206080
2-[4,6-dimethyl-2-(4-methyl-3-pyridinyl)pyrimidin-5-yl]propanoic acid
CID 114878657
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
CID 62891095
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
2-(3-bromo-4-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 115568146
2-(3-bromo-4-fluorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 82801577
4-amino-6-methyl-2-(4-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
CID 114879069
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
2-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62902963

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 114878680) is 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is Cc1ccncc1-c1ncc(C(=O)O)c(C(C)C)n1.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is ZTOGJTWIBAMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8(2)12-11(14(18)19)7-16-13(17-12)10-6-15-5-4-9(10)3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114878680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).