4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C12H17FN4O — CID 113234194

IUPAC4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCc1ncnc(NC2CCC(C(N)=O)CC2)c1F
InChIInChI=1S/C12H17FN4O/c1-7-10(13)12(16-6-15-7)17-9-4-2-8(3-5-9)11(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyJBBFCELYZNABLQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.38
Rot. Bonds3

About 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 113234194) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID113234194
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCc1ncnc(NC2CCC(C(N)=O)CC2)c1F
InChIInChI=1S/C12H17FN4O/c1-7-10(13)12(16-6-15-7)17-9-4-2-8(3-5-9)11(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyJBBFCELYZNABLQ-UHFFFAOYSA-N
XLogP1.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 121583005
8-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 128384679
trans-N-methyl-4-{[(2,5,6-trimethylpyrimidin-4-yl)amino]methyl}cyclohexanecarboxamide
CID 131924476
(1S,6S)-6-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
CID 164631446
4-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 63928120
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 75437980
cis-(1S,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331727
trans-(1S,3S)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331728
trans-(1R,3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331729
cis-(1R,3S)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97331730
5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 103634730
N-(1-cyclohexylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103703539

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 113234194) is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is Cc1ncnc(NC2CCC(C(N)=O)CC2)c1F.
What is the InChIKey of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is JBBFCELYZNABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-7-10(13)12(16-6-15-7)17-9-4-2-8(3-5-9)11(14)18/h6,8-9H,2-5H2,1H3,(H2,14,18)(H,15,16,17).
What are the key properties of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 113234194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).