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

C16H16N2O2 — CID 63078490

IUPAC6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H16N2O2/c1-11-10-13(14(19)20)18-15(17-11)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,19,20)
InChIKeyDXLYIHHHPKCFJF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.95
Rot. Bonds3

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

6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid (PubChem CID 63078490) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
PubChem CID63078490
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C16H16N2O2/c1-11-10-13(14(19)20)18-15(17-11)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,19,20)
InChIKeyDXLYIHHHPKCFJF-UHFFFAOYSA-N
XLogP2.95
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.95
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-phenylcyclobutyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid (CID 63078490) is 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid?
The InChIKey is DXLYIHHHPKCFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-10-13(14(19)20)18-15(17-11)16(8-5-9-16)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,19,20).
What are the key properties of 6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid?
6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.95, 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-phenylcyclobutyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 63078490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).