2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine

C10H9ClFN3 — CID 114693468

IUPAC2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c(F)ccc(C)c12
InChIInChI=1S/C10H9ClFN3/c1-5-3-4-6(12)8-7(5)9(13-2)15-10(11)14-8/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAFSLMHVTKFRBJU-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine

2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine (PubChem CID 114693468) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
PubChem CID114693468
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
SMILESCNc1nc(Cl)nc2c(F)ccc(C)c12
InChIInChI=1S/C10H9ClFN3/c1-5-3-4-6(12)8-7(5)9(13-2)15-10(11)14-8/h3-4H,1-2H3,(H,13,14,15)
InChIKeyAFSLMHVTKFRBJU-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
2-chloro-5-fluoro-8-methylquinazolin-4-amine
CID 130051304
2-tert-butyl-8-fluoro-N,5-dimethylquinolin-4-amine
CID 63480563
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
(8-fluoro-2,3,5-trimethylquinolin-4-yl)hydrazine
CID 62252075
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222
2-chloro-7-fluoro-8-methyl-N-propan-2-ylquinazolin-4-amine
CID 114693358
(8-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252255
2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine
CID 62891759
2-chloro-6-fluoro-N,3-dimethylaniline
CID 174640789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine?
The IUPAC name of 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine (CID 114693468) is 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine?
The canonical SMILES for 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine is CNc1nc(Cl)nc2c(F)ccc(C)c12.
What is the InChIKey of 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine?
The InChIKey is AFSLMHVTKFRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-5-3-4-6(12)8-7(5)9(13-2)15-10(11)14-8/h3-4H,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine?
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine has a molecular weight of 225.65 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine is sourced from PubChem (CID 114693468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).