N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide

C16H26FN5O — CID 57273718

IUPACN-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(N[C@@H](C)C2CCCCC2)nc([C@@H](C)F)n1
InChIInChI=1S/C16H26FN5O/c1-4-13(23)19-16-21-14(10(2)17)20-15(22-16)18-11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3,(H2,18,19,20,21,22,23)/t10-,11+/m1/s1
InChIKeyZRMIIJLJIZTSFQ-MNOVXSKESA-N
MW323.42 g/mol
LogP3.63
Rot. Bonds6

About N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide

N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide (PubChem CID 57273718) has the molecular formula C16H26FN5O and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
PubChem CID57273718
Molecular FormulaC16H26FN5O
Molecular Weight323.42 g/mol
Exact Mass323.21
IUPAC NameN-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(N[C@@H](C)C2CCCCC2)nc([C@@H](C)F)n1
InChIInChI=1S/C16H26FN5O/c1-4-13(23)19-16-21-14(10(2)17)20-15(22-16)18-11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3,(H2,18,19,20,21,22,23)/t10-,11+/m1/s1
InChIKeyZRMIIJLJIZTSFQ-MNOVXSKESA-N
XLogP3.63
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide (CID 57273718) is N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(N[C@@H](C)C2CCCCC2)nc([C@@H](C)F)n1.
What is the InChIKey of N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide?
The InChIKey is ZRMIIJLJIZTSFQ-MNOVXSKESA-N. The full InChI is InChI=1S/C16H26FN5O/c1-4-13(23)19-16-21-14(10(2)17)20-15(22-16)18-11(3)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3,(H2,18,19,20,21,22,23)/t10-,11+/m1/s1.
What are the key properties of N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide?
N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 323.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 57273718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).