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

C15H22ClF2N5O — CID 15477551

IUPACN-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(F)(F)Cl)n1
InChIInChI=1S/C15H22ClF2N5O/c1-3-11(24)20-14-22-12(15(16,17)18)21-13(23-14)19-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyLMEHPGLOWNZLSJ-UHFFFAOYSA-N
MW361.82 g/mol
LogP3.89
Rot. Bonds6

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

N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide (PubChem CID 15477551) has the molecular formula C15H22ClF2N5O and a molecular weight of 361.82 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide
PubChem CID15477551
Molecular FormulaC15H22ClF2N5O
Molecular Weight361.82 g/mol
Exact Mass361.15
IUPAC NameN-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(F)(F)Cl)n1
InChIInChI=1S/C15H22ClF2N5O/c1-3-11(24)20-14-22-12(15(16,17)18)21-13(23-14)19-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyLMEHPGLOWNZLSJ-UHFFFAOYSA-N
XLogP3.89
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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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-(1-cyclohexylethylamino)-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
CID 15477555
6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine
CID 15477563
N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
CID 57273718
N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]formamide
CID 59109745
N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]acetamide
CID 141998520

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide (CID 15477551) is N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(NC(C)C2CCCCC2)nc(C(F)(F)Cl)n1.
What is the InChIKey of N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is LMEHPGLOWNZLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF2N5O/c1-3-11(24)20-14-22-12(15(16,17)18)21-13(23-14)19-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide?
N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 361.82 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methyl]-6-(1-cyclohexylethylamino)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 15477551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).