4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C15H19ClN6O — CID 90645158

IUPAC4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)11-9-10(16)3-4-12(11)23-2/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyCLLDPKOCRQKNSX-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.53
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645158) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645158
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)11-9-10(16)3-4-12(11)23-2/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyCLLDPKOCRQKNSX-UHFFFAOYSA-N
XLogP1.53
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
4-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
6-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
CID 2725924
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-cyclohexylamine
CID 826987
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995
6-(5-chloro-2-methoxyphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 1827385
4-(3-Chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645157
6-[4-(4-Chloro-2-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036399
6-(5-Chloro-2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 827431
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dimethylamine
CID 826976

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645158) is 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is COc1ccc(Cl)cc1-c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CLLDPKOCRQKNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-21-5-7-22(8-6-21)15-19-13(18-14(17)20-15)11-9-10(16)3-4-12(11)23-2/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 334.81 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).