6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

C18H21F2N5O — CID 166481063

IUPAC6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc(C2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H21F2N5O/c19-18(20)6-4-13(5-7-18)22-16(26)15-10-14(12-2-1-3-12)23-17(24-15)25-9-8-21-11-25/h8-13H,1-7H2,(H,22,26)
InChIKeyQWZVKUUFBMGEML-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.24
Rot. Bonds4

About 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide

6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 166481063) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID166481063
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1cc(C2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C18H21F2N5O/c19-18(20)6-4-13(5-7-18)22-16(26)15-10-14(12-2-1-3-12)23-17(24-15)25-9-8-21-11-25/h8-13H,1-7H2,(H,22,26)
InChIKeyQWZVKUUFBMGEML-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
CID 166480910
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
N-(4,4-difluorocyclohexyl)-4-(imidazol-1-ylmethyl)benzamide
CID 119104686
N-[3-(3,3-difluoroazetidin-1-yl)cyclobutyl]-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
CID 172628171
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
CID 166481650
N-(4-aminocyclohexyl)-2-imidazol-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxamide
CID 172628291
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-cyclobutyl-2-(3-methylimidazol-4-yl)-6-(oxan-4-yl)pyrimidine-4-carboxamide;propan-2-ol
CID 166481588
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 166481063) is 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(NC1CCC(F)(F)CC1)c1cc(C2CCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is QWZVKUUFBMGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c19-18(20)6-4-13(5-7-18)22-16(26)15-10-14(12-2-1-3-12)23-17(24-15)25-9-8-21-11-25/h8-13H,1-7H2,(H,22,26).
What are the key properties of 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide?
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166481063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).