2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H17ClN6 — CID 80736345

IUPAC2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C14H17ClN6/c1-16-12-18-13(17-11-6-4-5-10(15)9-11)20-14(19-12)21-7-2-3-8-21/h4-6,9H,2-3,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyRQADJZHVZBWGFG-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.91
Rot. Bonds4

About 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80736345) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80736345
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C14H17ClN6/c1-16-12-18-13(17-11-6-4-5-10(15)9-11)20-14(19-12)21-7-2-3-8-21/h4-6,9H,2-3,7-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyRQADJZHVZBWGFG-UHFFFAOYSA-N
XLogP2.91
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine 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

2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580323
4-chloro-N-(3-iodophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870369
4-(3-chlorophenyl)-N-(4-methylphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 25257182
2-N-(3,5-dimethylphenyl)-4-N-(3-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 35024765
2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736600
4-N-(3-chlorophenyl)-6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112929721
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509
4-chloro-N-(3,4-dichlorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869331
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80736345) is 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2cccc(Cl)c2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RQADJZHVZBWGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-16-12-18-13(17-11-6-4-5-10(15)9-11)20-14(19-12)21-7-2-3-8-21/h4-6,9H,2-3,7-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 304.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80736345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).