2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine

C10H9ClFN3 — CID 125498827

IUPAC2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine
SMILESCc1nc(CCl)nc2cc(N)c(F)cc12
InChIInChI=1S/C10H9ClFN3/c1-5-6-2-7(12)8(13)3-9(6)15-10(4-11)14-5/h2-3H,4,13H2,1H3
InChIKeyCMWNIKQBJREFBT-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.40
Rot. Bonds1

About 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine

2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine (PubChem CID 125498827) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine
PubChem CID125498827
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine
SMILESCc1nc(CCl)nc2cc(N)c(F)cc12
InChIInChI=1S/C10H9ClFN3/c1-5-6-2-7(12)8(13)3-9(6)15-10(4-11)14-5/h2-3H,4,13H2,1H3
InChIKeyCMWNIKQBJREFBT-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-4-fluoro-6-methylpyrimidine
CID 155921169
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
4,6,7-trimethylquinazolin-2-amine
CID 919132
3-chloro-7-fluoro-2-methylquinolin-4-amine
CID 121236696
N-(3-chloro-4-fluorophenyl)-2-(chloromethyl)-7-fluoro-N-methylquinazolin-4-amine
CID 150333192
2-(7-fluoro-4-methylquinazolin-2-yl)ethanol
CID 105458514
2,6-bis(chloromethyl)quinazolin-4-amine
CID 91333470
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
2,3-dimethylquinoxaline-6,7-diamine
CID 11513893
6-(chloromethyl)-2-N-(3,4,5-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 46397715
2-(6-fluoro-4-methylquinazolin-2-yl)-N-methylethanamine
CID 105473983
2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 124706862

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine?
The IUPAC name of 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine (CID 125498827) is 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine is Cc1nc(CCl)nc2cc(N)c(F)cc12.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine?
The InChIKey is CMWNIKQBJREFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-5-6-2-7(12)8(13)3-9(6)15-10(4-11)14-5/h2-3H,4,13H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine?
2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine has a molecular weight of 225.65 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-4-methylquinazolin-7-amine is sourced from PubChem (CID 125498827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).