2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide

C12H17FN4O — CID 133419371

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCCc1ncnc(NC2CCCC2C(N)=O)c1F
InChIInChI=1S/C12H17FN4O/c1-2-8-10(13)12(16-6-15-8)17-9-5-3-4-7(9)11(14)18/h6-7,9H,2-5H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyVPCPMTGTUZFZFL-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (PubChem CID 133419371) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
PubChem CID133419371
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
SMILESCCc1ncnc(NC2CCCC2C(N)=O)c1F
InChIInChI=1S/C12H17FN4O/c1-2-8-10(13)12(16-6-15-8)17-9-5-3-4-7(9)11(14)18/h6-7,9H,2-5H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyVPCPMTGTUZFZFL-UHFFFAOYSA-N
XLogP1.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
CID 103880316
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
2-[(6,7-difluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 71850491
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
2-[(6-fluoroquinazolin-4-yl)amino]cyclohexane-1-carboxamide
CID 133428030
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628
6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
CID 129006905
1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135090383
trans-ethyl (1S,2S)-2-[[5-fluoro-2-(iodomethyl)pyrimidin-4-yl]amino]cyclopentane-1-carboxylate
CID 89314996

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide (CID 133419371) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is CCc1ncnc(NC2CCCC2C(N)=O)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
The InChIKey is VPCPMTGTUZFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-2-8-10(13)12(16-6-15-8)17-9-5-3-4-7(9)11(14)18/h6-7,9H,2-5H2,1H3,(H2,14,18)(H,15,16,17).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 133419371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).