6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid

C15H14N2O2 — CID 63078321

IUPAC6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C15H14N2O2/c1-10-9-12(13(18)19)17-14(16-10)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyVEHBPVNSWPJELW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.56
Rot. Bonds3

About 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid

6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid (PubChem CID 63078321) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
PubChem CID63078321
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C15H14N2O2/c1-10-9-12(13(18)19)17-14(16-10)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyVEHBPVNSWPJELW-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid (CID 63078321) is 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid?
The InChIKey is VEHBPVNSWPJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-9-12(13(18)19)17-14(16-10)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid?
6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 63078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).