2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine

C12H14ClN3OS — CID 113484441

IUPAC2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
SMILESCC(CNc1nc(Cl)nc2ccccc12)S(C)=O
InChIInChI=1S/C12H14ClN3OS/c1-8(18(2)17)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyJUJMSFDNUULNEJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.46
Rot. Bonds4

About 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine

2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine (PubChem CID 113484441) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
PubChem CID113484441
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine
SMILESCC(CNc1nc(Cl)nc2ccccc12)S(C)=O
InChIInChI=1S/C12H14ClN3OS/c1-8(18(2)17)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H,14,15,16)
InChIKeyJUJMSFDNUULNEJ-UHFFFAOYSA-N
XLogP2.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
4-[(2-chloroquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 66109317
N'-(2-chloroquinazolin-4-yl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 121377379
3-methyl-N-(2-methylsulfinylpropyl)quinoxalin-2-amine
CID 115764306
N-[2-[(2-chloroquinazolin-4-yl)amino]-1-phenylethyl]acetamide
CID 121377431
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
3-methyl-N-(2-methylsulfinylpropyl)quinolin-2-amine
CID 115764309
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
2-chloro-N-[2-methyl-2-(4-methylphenoxy)propyl]quinazolin-4-amine
CID 12929075
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764108
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine (CID 113484441) is 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine is CC(CNc1nc(Cl)nc2ccccc12)S(C)=O.
What is the InChIKey of 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine?
The InChIKey is JUJMSFDNUULNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-8(18(2)17)7-14-11-9-5-3-4-6-10(9)15-12(13)16-11/h3-6,8H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine?
2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine has a molecular weight of 283.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylsulfinylpropyl)quinazolin-4-amine is sourced from PubChem (CID 113484441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).