2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine

C14H17ClN6 — CID 130559113

IUPAC2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C14H17ClN6/c15-12-18-13(16)20-14(19-12)17-11-6-7-21(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19,20)
InChIKeyNJQMRPVEJURZTK-UHFFFAOYSA-N
MW304.79 g/mol
LogP1.79
Rot. Bonds4

About 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine

2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 130559113) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID130559113
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C14H17ClN6/c15-12-18-13(16)20-14(19-12)17-11-6-7-21(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19,20)
InChIKeyNJQMRPVEJURZTK-UHFFFAOYSA-N
XLogP1.79
TPSA79.96 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-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-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598389
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
2-N-(1-benzylpyrrolidin-3-yl)-3-chloropyridine-2,5-diamine
CID 130558164
4-(azepan-1-yl)-N-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 66903055
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-bis(4-chlorophenyl)pyrazin-2-amine
CID 71199842

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine (CID 130559113) is 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is NJQMRPVEJURZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-12-18-13(16)20-14(19-12)17-11-6-7-21(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19,20).
What are the key properties of 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine?
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 304.79 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130559113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).