8-chloro-5-methyl-2-propylquinazolin-4-amine

C12H14ClN3 — CID 106583874

IUPAC8-chloro-5-methyl-2-propylquinazolin-4-amine
SMILESCCCc1nc(N)c2c(C)ccc(Cl)c2n1
InChIInChI=1S/C12H14ClN3/c1-3-4-9-15-11-8(13)6-5-7(2)10(11)12(14)16-9/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyYQLBYAASQCAZGW-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.13
Rot. Bonds2

About 8-chloro-5-methyl-2-propylquinazolin-4-amine

8-chloro-5-methyl-2-propylquinazolin-4-amine (PubChem CID 106583874) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 8-chloro-5-methyl-2-propylquinazolin-4-amine.

Molecular Properties

Compound Name8-chloro-5-methyl-2-propylquinazolin-4-amine
PubChem CID106583874
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name8-chloro-5-methyl-2-propylquinazolin-4-amine
SMILESCCCc1nc(N)c2c(C)ccc(Cl)c2n1
InChIInChI=1S/C12H14ClN3/c1-3-4-9-15-11-8(13)6-5-7(2)10(11)12(14)16-9/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyYQLBYAASQCAZGW-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-3-ethyl-2,5-dimethylquinolin-4-amine
CID 107628661
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
6-(5-bromo-2-chlorophenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80991140
2-tert-butyl-8-chloro-N-ethyl-5-methylquinolin-4-amine
CID 107628716
5-chloro-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628750
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
6-chloro-5-octyl-2-propylpyrimidin-4-amine
CID 154161263
4-bromo-8-chloro-2,5-dimethylquinazoline
CID 106583859
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-2-propylquinazolin-4-amine?
The IUPAC name of 8-chloro-5-methyl-2-propylquinazolin-4-amine (CID 106583874) is 8-chloro-5-methyl-2-propylquinazolin-4-amine.
What is the SMILES notation for 8-chloro-5-methyl-2-propylquinazolin-4-amine?
The canonical SMILES for 8-chloro-5-methyl-2-propylquinazolin-4-amine is CCCc1nc(N)c2c(C)ccc(Cl)c2n1.
What is the InChIKey of 8-chloro-5-methyl-2-propylquinazolin-4-amine?
The InChIKey is YQLBYAASQCAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-3-4-9-15-11-8(13)6-5-7(2)10(11)12(14)16-9/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 8-chloro-5-methyl-2-propylquinazolin-4-amine?
8-chloro-5-methyl-2-propylquinazolin-4-amine has a molecular weight of 235.72 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-2-propylquinazolin-4-amine is sourced from PubChem (CID 106583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).