N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide

C17H28FN5O — CID 15477552

IUPACN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(C)(C)F)n1
InChIInChI=1S/C17H28FN5O/c1-5-13(24)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyIOMLVVYPVZAJSS-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.81
Rot. Bonds6

About N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide

N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide (PubChem CID 15477552) has the molecular formula C17H28FN5O and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide
PubChem CID15477552
Molecular FormulaC17H28FN5O
Molecular Weight337.44 g/mol
Exact Mass337.23
IUPAC NameN-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(C)(C)F)n1
InChIInChI=1S/C17H28FN5O/c1-5-13(24)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyIOMLVVYPVZAJSS-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide (CID 15477552) is N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is IOMLVVYPVZAJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN5O/c1-5-13(24)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)12-9-7-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide?
N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 15477552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).