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

C20H20ClN5 — CID 44627294

IUPAC6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1nc(Nc2cccc(-c3ccccc3)c2)nc(NC2CCCC2)n1
InChIInChI=1S/C20H20ClN5/c21-18-24-19(22-16-10-4-5-11-16)26-20(25-18)23-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H2,22,23,24,25,26)
InChIKeyUVAYAUJUOFGNQQ-UHFFFAOYSA-N
MW365.87 g/mol
LogP5.29
Rot. Bonds5

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

6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 44627294) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID44627294
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine
SMILESClc1nc(Nc2cccc(-c3ccccc3)c2)nc(NC2CCCC2)n1
InChIInChI=1S/C20H20ClN5/c21-18-24-19(22-16-10-4-5-11-16)26-20(25-18)23-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H2,22,23,24,25,26)
InChIKeyUVAYAUJUOFGNQQ-UHFFFAOYSA-N
XLogP5.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.87
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-cyclohexyl-4-N-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 53418694
2-N-cyclohexyl-6-hydrazinyl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 56687990
6-chloro-4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-1,3,5-triazine-2,4-diamine;ethane
CID 142875975
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-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
4-N-(3-chlorophenyl)-2-N-cyclopentyl-6-methylpyrimidine-2,4-diamine
CID 112909893
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine
CID 177073813
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine (CID 44627294) is 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine is Clc1nc(Nc2cccc(-c3ccccc3)c2)nc(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UVAYAUJUOFGNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5/c21-18-24-19(22-16-10-4-5-11-16)26-20(25-18)23-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H2,22,23,24,25,26).
What are the key properties of 6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopentyl-4-N-(3-phenylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 365.87 g/mol, XLogP of 5.29, 5 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-phenylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 44627294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).