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

C15H20ClN5 — CID 25178760

IUPAC6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCN(C)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN5/c1-17-14-12-7-11(16)3-4-13(12)19-15(20-14)18-8-10-5-6-21(2)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyWHDUNKYGGPSGFZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.69
Rot. Bonds4

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

6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (PubChem CID 25178760) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
PubChem CID25178760
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCN(C)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H20ClN5/c1-17-14-12-7-11(16)3-4-13(12)19-15(20-14)18-8-10-5-6-21(2)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyWHDUNKYGGPSGFZ-UHFFFAOYSA-N
XLogP2.69
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (CID 25178760) is 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is CNc1nc(NCC2CCN(C)C2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is WHDUNKYGGPSGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-17-14-12-7-11(16)3-4-13(12)19-15(20-14)18-8-10-5-6-21(2)9-10/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 2.69, 4 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-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 25178760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).