6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide

C15H23N3O2 — CID 18682015

IUPAC6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc[nH]c2=O)CC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-14(2)5-10(6-15(3,4)8-14)18-13(20)11-7-16-9-17-12(11)19/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyUUHZGIOYVMDUGM-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.10
Rot. Bonds2

About 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide

6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide (PubChem CID 18682015) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
PubChem CID18682015
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
SMILESCC1(C)CC(NC(=O)c2cnc[nH]c2=O)CC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-14(2)5-10(6-15(3,4)8-14)18-13(20)11-7-16-9-17-12(11)19/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)(H,16,17,19)
InChIKeyUUHZGIOYVMDUGM-UHFFFAOYSA-N
XLogP2.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide
CID 18682011
2-Tert-butyl-N-(cyclohexylmethyl)-4-hydroxypyrimidine-5-carboxamide
CID 70717162
N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110848985
2-(6-oxo-1,6-dihydropyrimidin-5-yl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
CID 118766759
2-(methylthio)-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1,6-dihydropyrimidine-5-carboxamide
CID 118768539
N-[(1-methylcyclohexyl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 131918052
N-[3-(aminomethyl)-2,2-dimethylcyclobutyl]-1-methyl-6-oxopyrimidine-5-carboxamide
CID 166304393

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide (CID 18682015) is 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide is CC1(C)CC(NC(=O)c2cnc[nH]c2=O)CC(C)(C)C1.
What is the InChIKey of 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is UUHZGIOYVMDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)5-10(6-15(3,4)8-14)18-13(20)11-7-16-9-17-12(11)19/h7,9-10H,5-6,8H2,1-4H3,(H,18,20)(H,16,17,19).
What are the key properties of 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide?
6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 18682015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).