N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine

C12H15ClN4 — CID 121205342

IUPACN-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C12H15ClN4/c1-17(2)8-7-14-12-15-10-6-4-3-5-9(10)11(13)16-12/h3-6H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGTUFHDDRWDYAKU-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.26
Rot. Bonds4

About N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 121205342) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID121205342
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC NameN-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C12H15ClN4/c1-17(2)8-7-14-12-15-10-6-4-3-5-9(10)11(13)16-12/h3-6H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGTUFHDDRWDYAKU-UHFFFAOYSA-N
XLogP2.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
CID 90395677
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 3420186
N',N'-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]ethane-1,2-diamine
CID 90387864
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 45046156
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 18593626
4-chloro-N-phenylsulfanylquinazolin-2-amine
CID 166991958
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 121205342) is N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(Cl)c2ccccc2n1.
What is the InChIKey of N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GTUFHDDRWDYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-17(2)8-7-14-12-15-10-6-4-3-5-9(10)11(13)16-12/h3-6H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 250.73 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroquinazolin-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121205342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).