6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one

C12H10FN3O3 — CID 82091108

IUPAC6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(C(=O)c2cnc(=O)[nH]c2N)cc1F
InChIInChI=1S/C12H10FN3O3/c1-19-9-3-2-6(4-8(9)13)10(17)7-5-15-12(18)16-11(7)14/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyHETKGVDXLUZHGY-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.73
Rot. Bonds3

About 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one

6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one (PubChem CID 82091108) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
PubChem CID82091108
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(C(=O)c2cnc(=O)[nH]c2N)cc1F
InChIInChI=1S/C12H10FN3O3/c1-19-9-3-2-6(4-8(9)13)10(17)7-5-15-12(18)16-11(7)14/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyHETKGVDXLUZHGY-UHFFFAOYSA-N
XLogP0.73
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115604695
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
6-amino-5-methoxy-1H-pyrimidin-2-one
CID 15422742
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one (CID 82091108) is 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one is COc1ccc(C(=O)c2cnc(=O)[nH]c2N)cc1F.
What is the InChIKey of 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one?
The InChIKey is HETKGVDXLUZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-19-9-3-2-6(4-8(9)13)10(17)7-5-15-12(18)16-11(7)14/h2-5H,1H3,(H3,14,15,16,18).
What are the key properties of 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one?
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one has a molecular weight of 263.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 82091108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).