6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine

C15H16ClF2N5 — CID 53418694

IUPAC6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESFc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C15H16ClF2N5/c16-13-21-14(19-11-4-2-1-3-5-11)23-15(22-13)20-12-7-9(17)6-10(18)8-12/h6-8,11H,1-5H2,(H2,19,20,21,22,23)
InChIKeyUDSYOPSUVZVRMB-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.29
Rot. Bonds4

About 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 53418694) has the molecular formula C15H16ClF2N5 and a molecular weight of 339.78 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID53418694
Molecular FormulaC15H16ClF2N5
Molecular Weight339.78 g/mol
Exact Mass339.11
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
SMILESFc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C15H16ClF2N5/c16-13-21-14(19-11-4-2-1-3-5-11)23-15(22-13)20-12-7-9(17)6-10(18)8-12/h6-8,11H,1-5H2,(H2,19,20,21,22,23)
InChIKeyUDSYOPSUVZVRMB-UHFFFAOYSA-N
XLogP4.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 44627401
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 44627294
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 157445114
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
3-chloro-N-cyclopentyl-5-fluoroaniline
CID 115743691
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
4-[[4-(cycloheptylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-2-fluorophenol
CID 71125999

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine (CID 53418694) is 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine is Fc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCCC3)n2)c1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UDSYOPSUVZVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N5/c16-13-21-14(19-11-4-2-1-3-5-11)23-15(22-13)20-12-7-9(17)6-10(18)8-12/h6-8,11H,1-5H2,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 339.78 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 53418694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).