N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide

C16H26FN5O — CID 18769910

IUPACN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C(C)F)nc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C16H26FN5O/c1-4-13(23)18-15-19-14(11(3)17)20-16(21-15)22(5-2)12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H,18,19,20,21,23)
InChIKeyZPBRHFOWDWGTPA-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide

N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide (PubChem CID 18769910) has the molecular formula C16H26FN5O and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
PubChem CID18769910
Molecular FormulaC16H26FN5O
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC NameN-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C(C)F)nc(N(CC)C2CCCCC2)n1
InChIInChI=1S/C16H26FN5O/c1-4-13(23)18-15-19-14(11(3)17)20-16(21-15)22(5-2)12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H,18,19,20,21,23)
InChIKeyZPBRHFOWDWGTPA-UHFFFAOYSA-N
XLogP3.41
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
CID 15477547
N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide
CID 15477552
N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
CID 18769907
N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
CID 57273718
N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]acetamide
CID 141998520
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 121001735
N-(4-methyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 121005954

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide (CID 18769910) is N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C(C)F)nc(N(CC)C2CCCCC2)n1.
What is the InChIKey of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is ZPBRHFOWDWGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN5O/c1-4-13(23)18-15-19-14(11(3)17)20-16(21-15)22(5-2)12-9-7-6-8-10-12/h11-12H,4-10H2,1-3H3,(H,18,19,20,21,23).
What are the key properties of N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide?
N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 323.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 18769910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).