6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C13H16ClN5 — CID 24759518

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C13H16ClN5/c1-18-4-6-19(7-5-18)13-16-11-3-2-9(14)8-10(11)12(15)17-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChIKeyPELIXYXPUAFHOR-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.62
Rot. Bonds1

About 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 24759518) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID24759518
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C13H16ClN5/c1-18-4-6-19(7-5-18)13-16-11-3-2-9(14)8-10(11)12(15)17-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17)
InChIKeyPELIXYXPUAFHOR-UHFFFAOYSA-N
XLogP1.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Chloroanilino)quinazoline
CID 128872
2,4-Quinazolinediamine, 5-chloro-
CID 205130
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
6-Chloroquinazoline-2,4-diamine
CID 256219
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-Chloro-2-phenylquinazoline
CID 80977
Ezurpimtrostat
CID 121305180
2-N-benzyl-4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 697231
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
CID 2227970
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 24759518) is 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(N)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is PELIXYXPUAFHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-18-4-6-19(7-5-18)13-16-11-3-2-9(14)8-10(11)12(15)17-13/h2-3,8H,4-7H2,1H3,(H2,15,16,17).
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 24759518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).