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

C17H23FN6O — CID 168879398

IUPACN-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCCF)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H23FN6O/c1-12-10-15(23-17(21-12)24-9-8-19-11-24)16(25)22-14-4-2-13(3-5-14)20-7-6-18/h8-11,13-14,20H,2-7H2,1H3,(H,22,25)
InChIKeyCEVVIFDRVTZCQP-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.57
Rot. Bonds6

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

N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide (PubChem CID 168879398) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
PubChem CID168879398
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC NameN-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCC(NCCF)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C17H23FN6O/c1-12-10-15(23-17(21-12)24-9-8-19-11-24)16(25)22-14-4-2-13(3-5-14)20-7-6-18/h8-11,13-14,20H,2-7H2,1H3,(H,22,25)
InChIKeyCEVVIFDRVTZCQP-UHFFFAOYSA-N
XLogP1.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyrimidine-4-carboxamide
CID 156885842
2-imidazol-1-yl-N-(4-methylcyclohexyl)pyrimidine-4-carboxamide
CID 156885923
2-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-4-carboxamide
CID 166481632
CD38 inhibitor 3
CID 168679856
N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 169686116
N-(3-fluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774157
N-cycloheptyl-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774163
N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774193
N-(3,4-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774200
N-(3-fluorophenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774216
N-cyclooctyl-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774237
N-(3,5-difluorophenyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 170774239

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide (CID 168879398) is N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCC(NCCF)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
The InChIKey is CEVVIFDRVTZCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-12-10-15(23-17(21-12)24-9-8-19-11-24)16(25)22-14-4-2-13(3-5-14)20-7-6-18/h8-11,13-14,20H,2-7H2,1H3,(H,22,25).
What are the key properties of N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide?
N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroethylamino)cyclohexyl]-2-imidazol-1-yl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).