N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide

C17H22F2N6O — CID 168879418

IUPACN-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H22F2N6O/c1-11-8-14(24-17(22-11)25-7-6-20-10-25)16(26)23-13-4-2-12(3-5-13)21-9-15(18)19/h6-8,10,12-13,15,21H,2-5,9H2,1H3,(H,23,26)
InChIKeyFMBDRTYJTYLSNU-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.87
Rot. Bonds6

About N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide

N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide (PubChem CID 168879418) has the molecular formula C17H22F2N6O and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
PubChem CID168879418
Molecular FormulaC17H22F2N6O
Molecular Weight364.40 g/mol
Exact Mass364.18
IUPAC NameN-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCC(F)F)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H22F2N6O/c1-11-8-14(24-17(22-11)25-7-6-20-10-25)16(26)23-13-4-2-12(3-5-13)21-9-15(18)19/h6-8,10,12-13,15,21H,2-5,9H2,1H3,(H,23,26)
InChIKeyFMBDRTYJTYLSNU-UHFFFAOYSA-N
XLogP1.87
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide (CID 168879418) is N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(NCC(F)F)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The InChIKey is FMBDRTYJTYLSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O/c1-11-8-14(24-17(22-11)25-7-6-20-10-25)16(26)23-13-4-2-12(3-5-13)21-9-15(18)19/h6-8,10,12-13,15,21H,2-5,9H2,1H3,(H,23,26).
What are the key properties of N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168879418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).