6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

C14H14Cl3N5 — CID 44627401

IUPAC6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1
InChIInChI=1S/C14H14Cl3N5/c15-8-5-9(16)7-11(6-8)19-14-21-12(17)20-13(22-14)18-10-3-1-2-4-10/h5-7,10H,1-4H2,(H2,18,19,20,21,22)
InChIKeyFGGSNQLTKVUYSQ-UHFFFAOYSA-N
MW358.66 g/mol
LogP4.93
Rot. Bonds4

About 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 44627401) has the molecular formula C14H14Cl3N5 and a molecular weight of 358.66 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID44627401
Molecular FormulaC14H14Cl3N5
Molecular Weight358.66 g/mol
Exact Mass357.03
IUPAC Name6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1cc(Cl)cc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1
InChIInChI=1S/C14H14Cl3N5/c15-8-5-9(16)7-11(6-8)19-14-21-12(17)20-13(22-14)18-10-3-1-2-4-10/h5-7,10H,1-4H2,(H2,18,19,20,21,22)
InChIKeyFGGSNQLTKVUYSQ-UHFFFAOYSA-N
XLogP4.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 44627294
3-N-cycloheptyl-5-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959352
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
5-N-cycloheptyl-3-N-(3,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959235
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
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
4-N-(4-chlorophenyl)-2-N-cyclopentyl-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 686003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine (CID 44627401) is 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine is Clc1cc(Cl)cc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1.
What is the InChIKey of 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FGGSNQLTKVUYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N5/c15-8-5-9(16)7-11(6-8)19-14-21-12(17)20-13(22-14)18-10-3-1-2-4-10/h5-7,10H,1-4H2,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 358.66 g/mol, XLogP of 4.93, 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-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44627401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).