2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C15H22N2O3 — CID 65414620

IUPAC2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)10-6-4-9(5-7-10)12-16-8-11(14(19)20)13(18)17-12/h8-10H,4-7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyCGZAUOREFHIFTL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 65414620) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID65414620
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)10-6-4-9(5-7-10)12-16-8-11(14(19)20)13(18)17-12/h8-10H,4-7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyCGZAUOREFHIFTL-UHFFFAOYSA-N
XLogP2.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 65414620) is 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CC(C)(C)C1CCC(c2ncc(C(=O)O)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CGZAUOREFHIFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)10-6-4-9(5-7-10)12-16-8-11(14(19)20)13(18)17-12/h8-10H,4-7H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65414620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).