2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C16H23F2N3O2 — CID 154781994

IUPAC2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N3O2/c1-9-11(13(23)21-14(19-9)15(2,3)4)12(22)20-10-5-7-16(17,18)8-6-10/h10H,5-8H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOFZQGHGNUNGTSP-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.68
Rot. Bonds2

About 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 154781994) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID154781994
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C16H23F2N3O2/c1-9-11(13(23)21-14(19-9)15(2,3)4)12(22)20-10-5-7-16(17,18)8-6-10/h10H,5-8H2,1-4H3,(H,20,22)(H,19,21,23)
InChIKeyOFZQGHGNUNGTSP-UHFFFAOYSA-N
XLogP2.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 154781994) is 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OFZQGHGNUNGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-9-11(13(23)21-14(19-9)15(2,3)4)12(22)20-10-5-7-16(17,18)8-6-10/h10H,5-8H2,1-4H3,(H,20,22)(H,19,21,23).
What are the key properties of 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4,4-difluorocyclohexyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 154781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).