5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione

C12H12FN3O3 — CID 104792097

IUPAC5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2cc(N)c(=O)[nH]c2=O)c1F
InChIInChI=1S/C12H12FN3O3/c1-19-9-4-2-3-7(10(9)13)5-16-6-8(14)11(17)15-12(16)18/h2-4,6H,5,14H2,1H3,(H,15,17,18)
InChIKeyFKEXTVWQCBXTNP-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.31
Rot. Bonds3

About 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione

5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 104792097) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID104792097
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione
SMILESCOc1cccc(Cn2cc(N)c(=O)[nH]c2=O)c1F
InChIInChI=1S/C12H12FN3O3/c1-19-9-4-2-3-7(10(9)13)5-16-6-8(14)11(17)15-12(16)18/h2-4,6H,5,14H2,1H3,(H,15,17,18)
InChIKeyFKEXTVWQCBXTNP-UHFFFAOYSA-N
XLogP0.31
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]propan-2-amine
CID 104794838
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
2-amino-6-[(2-fluoro-3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917773
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 113453676
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
5-amino-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 63799206
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
5-methoxy-1-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrimidine-2,4-dione
CID 167761182
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione (CID 104792097) is 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione is COc1cccc(Cn2cc(N)c(=O)[nH]c2=O)c1F.
What is the InChIKey of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is FKEXTVWQCBXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-19-9-4-2-3-7(10(9)13)5-16-6-8(14)11(17)15-12(16)18/h2-4,6H,5,14H2,1H3,(H,15,17,18).
What are the key properties of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 265.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 104792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).