5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

C12H11F2N3O2 — CID 63801141

IUPAC5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(Cc2cc(F)ccc2F)c1=O
InChIInChI=1S/C12H11F2N3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5,15H2,1H3
InChIKeyGOXKIPISKXGRTP-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.46
Rot. Bonds2

About 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione

5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63801141) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID63801141
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(Cc2cc(F)ccc2F)c1=O
InChIInChI=1S/C12H11F2N3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5,15H2,1H3
InChIKeyGOXKIPISKXGRTP-UHFFFAOYSA-N
XLogP0.46
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione (CID 63801141) is 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is Cn1cc(N)c(=O)n(Cc2cc(F)ccc2F)c1=O.
What is the InChIKey of 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is GOXKIPISKXGRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-16-6-10(15)11(18)17(12(16)19)5-7-4-8(13)2-3-9(7)14/h2-4,6H,5,15H2,1H3.
What are the key properties of 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione?
5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 267.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2,5-difluorophenyl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63801141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).