3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione

C12H12FN3O2 — CID 142672061

IUPAC3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
SMILESCc1cc(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C12H12FN3O2/c1-6-4-7(13)5-9-10(6)15(8-2-3-8)12(18)16(14)11(9)17/h4-5,8H,2-3,14H2,1H3
InChIKeyHEWHMMYQWREOSK-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.66
Rot. Bonds1

About 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione

3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione (PubChem CID 142672061) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
PubChem CID142672061
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
SMILESCc1cc(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12
InChIInChI=1S/C12H12FN3O2/c1-6-4-7(13)5-9-10(6)15(8-2-3-8)12(18)16(14)11(9)17/h4-5,8H,2-3,14H2,1H3
InChIKeyHEWHMMYQWREOSK-UHFFFAOYSA-N
XLogP0.66
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
3-amino-7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoroquinazoline-2,4-dione
CID 20792067
3-amino-7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10155370
3-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10271056
3-amino-7-[(5S)-5-amino-3,3-diethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10024124
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
3-amino-7-[(3R,4S)-3-(aminomethyl)-4-methylpyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoroquinazoline-2,4-dione
CID 69075743
3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione
CID 173256237
3-amino-8-chloro-1-cyclopropyl-7-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-fluoroquinazoline-2,4-dione
CID 11153221
3-amino-7-[3-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10177169
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584
3-amino-7-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione;hydrochloride
CID 69078708

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione?
The IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione (CID 142672061) is 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione?
The canonical SMILES for 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione is Cc1cc(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12.
What is the InChIKey of 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione?
The InChIKey is HEWHMMYQWREOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-6-4-7(13)5-9-10(6)15(8-2-3-8)12(18)16(14)11(9)17/h4-5,8H,2-3,14H2,1H3.
What are the key properties of 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione?
3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione has a molecular weight of 249.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione is sourced from PubChem (CID 142672061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).