6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine

C13H19ClF3N5 — CID 166860176

IUPAC6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5/c1-2-9(13(15,16)17)19-12-21-10(14)20-11(22-12)18-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,18,19,20,21,22)/t9-/m1/s1
InChIKeyNHCGGEZYQFNEOD-SECBINFHSA-N
MW337.78 g/mol
LogP4.02
Rot. Bonds5

About 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 166860176) has the molecular formula C13H19ClF3N5 and a molecular weight of 337.78 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID166860176
Molecular FormulaC13H19ClF3N5
Molecular Weight337.78 g/mol
Exact Mass337.13
IUPAC Name6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5/c1-2-9(13(15,16)17)19-12-21-10(14)20-11(22-12)18-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,18,19,20,21,22)/t9-/m1/s1
InChIKeyNHCGGEZYQFNEOD-SECBINFHSA-N
XLogP4.02
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758274
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 53418694
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526
6-chloro-2-N-(1-ethylpiperidin-3-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80801238

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine (CID 166860176) is 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine is CC[C@@H](Nc1nc(Cl)nc(NC2CCCCC2)n1)C(F)(F)F.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NHCGGEZYQFNEOD-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClF3N5/c1-2-9(13(15,16)17)19-12-21-10(14)20-11(22-12)18-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,18,19,20,21,22)/t9-/m1/s1.
What are the key properties of 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 337.78 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166860176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).