6-chloro-N-cyclobutylquinazolin-4-amine

C12H12ClN3 — CID 13231187

IUPAC6-chloro-N-cyclobutylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CCC3)c2c1
InChIInChI=1S/C12H12ClN3/c13-8-4-5-11-10(6-8)12(15-7-14-11)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15,16)
InChIKeyLFLBOQGALFOPBA-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.25
Rot. Bonds2

About 6-chloro-N-cyclobutylquinazolin-4-amine

6-chloro-N-cyclobutylquinazolin-4-amine (PubChem CID 13231187) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-N-cyclobutylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclobutylquinazolin-4-amine
PubChem CID13231187
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name6-chloro-N-cyclobutylquinazolin-4-amine
SMILESClc1ccc2ncnc(NC3CCC3)c2c1
InChIInChI=1S/C12H12ClN3/c13-8-4-5-11-10(6-8)12(15-7-14-11)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15,16)
InChIKeyLFLBOQGALFOPBA-UHFFFAOYSA-N
XLogP3.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
7-chloro-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399280
5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
CID 57435174
6-N-(6-chloroquinazolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 90446585
6-N-(6-chloroquinazolin-4-yl)-5,6,7,8-tetrahydroquinazoline-2,6-diamine
CID 90446108
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
N-tert-butyl-6-chloroquinazolin-4-amine
CID 119092250
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 121263781
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
7-chloro-N-(1-methylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 24632856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclobutylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-cyclobutylquinazolin-4-amine (CID 13231187) is 6-chloro-N-cyclobutylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclobutylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-cyclobutylquinazolin-4-amine is Clc1ccc2ncnc(NC3CCC3)c2c1.
What is the InChIKey of 6-chloro-N-cyclobutylquinazolin-4-amine?
The InChIKey is LFLBOQGALFOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-8-4-5-11-10(6-8)12(15-7-14-11)16-9-2-1-3-9/h4-7,9H,1-3H2,(H,14,15,16).
What are the key properties of 6-chloro-N-cyclobutylquinazolin-4-amine?
6-chloro-N-cyclobutylquinazolin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclobutylquinazolin-4-amine is sourced from PubChem (CID 13231187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).