6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid

C15H16N2O3 — CID 82306293

IUPAC6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-4-5-14(20-3)11(6-10)12-7-13(15(18)19)17-8-16-12/h4-9H,1-3H3,(H,18,19)
InChIKeyPQWHUCBXOYPVKM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.97
Rot. Bonds4

About 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid

6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 82306293) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
PubChem CID82306293
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(C(C)C)cc1-c1cc(C(=O)O)ncn1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-4-5-14(20-3)11(6-10)12-7-13(15(18)19)17-8-16-12/h4-9H,1-3H3,(H,18,19)
InChIKeyPQWHUCBXOYPVKM-UHFFFAOYSA-N
XLogP2.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
CID 98019064
4-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-5-carboxylic acid
CID 82302135
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022
N-(3,4-dimethylphenyl)-6-(2-methoxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
CID 58639352
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
6-(3-fluoro-4-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 95478846
2-(5-methoxy-2-methyl-4-pyridinyl)-4-propan-2-ylbenzoic acid
CID 177237992

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid (CID 82306293) is 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid is COc1ccc(C(C)C)cc1-c1cc(C(=O)O)ncn1.
What is the InChIKey of 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is PQWHUCBXOYPVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)10-4-5-14(20-3)11(6-10)12-7-13(15(18)19)17-8-16-12/h4-9H,1-3H3,(H,18,19).
What are the key properties of 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid?
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82306293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).