N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

C16H21N5O — CID 170774262

IUPACN-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H21N5O/c1-16(2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22)
InChIKeyWZWPHGKHZXGQED-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.36
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774262) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774262
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H21N5O/c1-16(2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22)
InChIKeyWZWPHGKHZXGQED-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774262) is N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is CC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is WZWPHGKHZXGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-16(2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).