6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid

C14H20N2O3 — CID 65400356

IUPAC6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1
InChIInChI=1S/C14H20N2O3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(14(18)19)13(17)16-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyHTNTZVASFGSXSJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds3

About 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid

6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid (PubChem CID 65400356) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid
PubChem CID65400356
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1
InChIInChI=1S/C14H20N2O3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(14(18)19)13(17)16-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyHTNTZVASFGSXSJ-UHFFFAOYSA-N
XLogP2.40
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid (CID 65400356) is 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid is CC(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1.
What is the InChIKey of 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid?
The InChIKey is HTNTZVASFGSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8(2)9-3-5-10(6-4-9)12-15-7-11(14(18)19)13(17)16-12/h7-10H,3-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65400356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).