6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine

C16H22ClN5 — CID 25179305

IUPAC6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-7-5-11-6-8-22(2)10-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyOICQCECVOFFRAG-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.08
Rot. Bonds5

About 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine

6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine (PubChem CID 25179305) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
PubChem CID25179305
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-7-5-11-6-8-22(2)10-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyOICQCECVOFFRAG-UHFFFAOYSA-N
XLogP3.08
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine (CID 25179305) is 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine is CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine?
The InChIKey is OICQCECVOFFRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-7-5-11-6-8-22(2)10-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine?
6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 25179305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).