N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen

C18H29N5O2 — CID 166480910

IUPACN-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)nc(-n2ccnc2)n1.CO.[H][H]
InChIInChI=1S/C17H23N5O.CH4O.H2/c1-12(2)14-10-15(16(23)19-13-6-4-3-5-7-13)21-17(20-14)22-9-8-18-11-22;1-2;/h8-13H,3-7H2,1-2H3,(H,19,23);2H,1H3;1H
InChIKeySTMGZJSUKUJQEE-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.70
Rot. Bonds4

About N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen

N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen (PubChem CID 166480910) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
PubChem CID166480910
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
SMILESCC(C)c1cc(C(=O)NC2CCCCC2)nc(-n2ccnc2)n1.CO.[H][H]
InChIInChI=1S/C17H23N5O.CH4O.H2/c1-12(2)14-10-15(16(23)19-13-6-4-3-5-7-13)21-17(20-14)22-9-8-18-11-22;1-2;/h8-13H,3-7H2,1-2H3,(H,19,23);2H,1H3;1H
InChIKeySTMGZJSUKUJQEE-UHFFFAOYSA-N
XLogP2.70
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 166481063
2-imidazol-1-yl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166481353
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774256
2-imidazol-1-yl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide;hydrochloride
CID 170774255
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
N-cyclohexyl-4-imidazol-1-ylpyrimidine-2-carboxamide;molecular hydrogen;trifluoromethanol
CID 166480997
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
N-cyclohexyl-2-imidazol-1-ylpropanamide
CID 46458376
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen?
The IUPAC name of N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen (CID 166480910) is N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen is CC(C)c1cc(C(=O)NC2CCCCC2)nc(-n2ccnc2)n1.CO.[H][H].
What is the InChIKey of N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen?
The InChIKey is STMGZJSUKUJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.CH4O.H2/c1-12(2)14-10-15(16(23)19-13-6-4-3-5-7-13)21-17(20-14)22-9-8-18-11-22;1-2;/h8-13H,3-7H2,1-2H3,(H,19,23);2H,1H3;1H.
What are the key properties of N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen?
N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen has a molecular weight of 347.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen is sourced from PubChem (CID 166480910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).