N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

C29H39FN4O — CID 91582196

IUPACN-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(NC1CCCC1)C1CCCCC1)c1cncnc1C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C29H39FN4O/c30-23-14-12-22(13-15-23)29(16-6-7-17-29)27-25(18-31-20-33-27)28(35)32-19-26(21-8-2-1-3-9-21)34-24-10-4-5-11-24/h12-15,18,20-21,24,26,34H,1-11,16-17,19H2,(H,32,35)
InChIKeyFDABTMUMMAWSJA-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.69
Rot. Bonds8

About N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (PubChem CID 91582196) has the molecular formula C29H39FN4O and a molecular weight of 478.66 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
PubChem CID91582196
Molecular FormulaC29H39FN4O
Molecular Weight478.66 g/mol
Exact Mass478.31
IUPAC NameN-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESO=C(NCC(NC1CCCC1)C1CCCCC1)c1cncnc1C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C29H39FN4O/c30-23-14-12-22(13-15-23)29(16-6-7-17-29)27-25(18-31-20-33-27)28(35)32-19-26(21-8-2-1-3-9-21)34-24-10-4-5-11-24/h12-15,18,20-21,24,26,34H,1-11,16-17,19H2,(H,32,35)
InChIKeyFDABTMUMMAWSJA-UHFFFAOYSA-N
XLogP5.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pyrimidine-5-carboxamide
CID 126774582
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 91258205
N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 90722722
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 91291757
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 166932106
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
CID 95292177
N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637846
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (CID 91582196) is N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is O=C(NCC(NC1CCCC1)C1CCCCC1)c1cncnc1C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The InChIKey is FDABTMUMMAWSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN4O/c30-23-14-12-22(13-15-23)29(16-6-7-17-29)27-25(18-31-20-33-27)28(35)32-19-26(21-8-2-1-3-9-21)34-24-10-4-5-11-24/h12-15,18,20-21,24,26,34H,1-11,16-17,19H2,(H,32,35).
What are the key properties of N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide has a molecular weight of 478.66 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(cyclopentylamino)ethyl]-4-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91582196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).