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

C14H17ClN6 — CID 90645150

IUPAC4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C14H17ClN6/c1-20-5-7-21(8-6-20)14-18-12(17-13(16)19-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3,(H2,16,17,18,19)
InChIKeySYLFNVFQICGVKF-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.53
Rot. Bonds2

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

4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645150) has the molecular formula C14H17ClN6 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645150
Molecular FormulaC14H17ClN6
Molecular Weight304.78 g/mol
Exact Mass304.12
IUPAC Name4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C14H17ClN6/c1-20-5-7-21(8-6-20)14-18-12(17-13(16)19-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3,(H2,16,17,18,19)
InChIKeySYLFNVFQICGVKF-UHFFFAOYSA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
2-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 25217643
6-(3-chlorophenyl)-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine
CID 117817534
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
2-[3,4-Dichlorophenyl-4-[[[1-methyl-2-piperidyl]methyl]amino]-6-trichlomethyl-S-triazine
CID 566732
4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645146
4-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645147
4-(4-Methylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645153
4-(3,4-Dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645159
4-[(E)-2-(3-chlorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 122193095

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645150) is 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is SYLFNVFQICGVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-20-5-7-21(8-6-20)14-18-12(17-13(16)19-14)10-3-2-4-11(15)9-10/h2-4,9H,5-8H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 304.78 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).