N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide

C14H23N3O — CID 70978119

IUPACN-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)C2=CCN=CN2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-10-6-11(8-14(2,3)7-10)17-13(18)12-4-5-15-9-16-12/h4,9-11H,5-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJZZSIKOHFJFMKB-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.83
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide

N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide (PubChem CID 70978119) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide
PubChem CID70978119
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide
SMILESCC1CC(NC(=O)C2=CCN=CN2)CC(C)(C)C1
InChIInChI=1S/C14H23N3O/c1-10-6-11(8-14(2,3)7-10)17-13(18)12-4-5-15-9-16-12/h4,9-11H,5-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJZZSIKOHFJFMKB-UHFFFAOYSA-N
XLogP1.83
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide (CID 70978119) is N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide is CC1CC(NC(=O)C2=CCN=CN2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide?
The InChIKey is JZZSIKOHFJFMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-6-11(8-14(2,3)7-10)17-13(18)12-4-5-15-9-16-12/h4,9-11H,5-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide?
N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)-1,4-dihydropyrimidine-6-carboxamide is sourced from PubChem (CID 70978119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).