5-fluoro-3-methyl-2H-quinazolin-6-amine

C9H10FN3 — CID 175890645

IUPAC5-fluoro-3-methyl-2H-quinazolin-6-amine
SMILESCN1C=c2c(F)c(N)ccc2=NC1
InChIInChI=1S/C9H10FN3/c1-13-4-6-8(12-5-13)3-2-7(11)9(6)10/h2-4H,5,11H2,1H3
InChIKeyNNEYNPJQPYPYLF-UHFFFAOYSA-N
MW179.20 g/mol
LogP-0.33
Rot. Bonds

About 5-fluoro-3-methyl-2H-quinazolin-6-amine

5-fluoro-3-methyl-2H-quinazolin-6-amine (PubChem CID 175890645) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2H-quinazolin-6-amine.

Molecular Properties

Compound Name5-fluoro-3-methyl-2H-quinazolin-6-amine
PubChem CID175890645
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name5-fluoro-3-methyl-2H-quinazolin-6-amine
SMILESCN1C=c2c(F)c(N)ccc2=NC1
InChIInChI=1S/C9H10FN3/c1-13-4-6-8(12-5-13)3-2-7(11)9(6)10/h2-4H,5,11H2,1H3
InChIKeyNNEYNPJQPYPYLF-UHFFFAOYSA-N
XLogP-0.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Quinazoline, 2,3-dihydro-2-imino-3-methyl-
CID 171383925
3-Methylquinazoline
CID 68345740
3-prop-2-enyl-7-(trifluoromethyl)-2H-quinazoline
CID 140200278
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
2,3-dimethyl-2H-quinazoline
CID 23503296
3,5-dimethyl-2H-quinazolin-6-amine
CID 172743676
argon;3-methyl-2H-quinazoline
CID 174559439

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2H-quinazolin-6-amine?
The IUPAC name of 5-fluoro-3-methyl-2H-quinazolin-6-amine (CID 175890645) is 5-fluoro-3-methyl-2H-quinazolin-6-amine.
What is the SMILES notation for 5-fluoro-3-methyl-2H-quinazolin-6-amine?
The canonical SMILES for 5-fluoro-3-methyl-2H-quinazolin-6-amine is CN1C=c2c(F)c(N)ccc2=NC1.
What is the InChIKey of 5-fluoro-3-methyl-2H-quinazolin-6-amine?
The InChIKey is NNEYNPJQPYPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-13-4-6-8(12-5-13)3-2-7(11)9(6)10/h2-4H,5,11H2,1H3.
What are the key properties of 5-fluoro-3-methyl-2H-quinazolin-6-amine?
5-fluoro-3-methyl-2H-quinazolin-6-amine has a molecular weight of 179.20 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2H-quinazolin-6-amine is sourced from PubChem (CID 175890645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).