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

C16H22ClN5 — CID 25178759

IUPAC6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-10-11-5-7-22(2)8-6-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyZUSULNBHLDTPOS-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.08
Rot. Bonds4

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

6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine (PubChem CID 25178759) 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-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
PubChem CID25178759
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCN(C)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-10-11-5-7-22(2)8-6-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyZUSULNBHLDTPOS-UHFFFAOYSA-N
XLogP3.08
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine (CID 25178759) is 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine is CNc1nc(NCC2CCN(C)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is ZUSULNBHLDTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-10-11-5-7-22(2)8-6-11/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-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine?
6-chloro-4-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 319.84 g/mol, XLogP of 3.08, 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-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 25178759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).