1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione

C13H15N3O4 — CID 167938342

IUPAC1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione
SMILESCc1cc(=O)c(OCc2cc(=O)n(C)c(=O)n2C)c[nH]1
InChIInChI=1S/C13H15N3O4/c1-8-4-10(17)11(6-14-8)20-7-9-5-12(18)16(3)13(19)15(9)2/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyYQMHDDHSSQDTGN-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.34
Rot. Bonds3

About 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione (PubChem CID 167938342) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione
PubChem CID167938342
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione
SMILESCc1cc(=O)c(OCc2cc(=O)n(C)c(=O)n2C)c[nH]1
InChIInChI=1S/C13H15N3O4/c1-8-4-10(17)11(6-14-8)20-7-9-5-12(18)16(3)13(19)15(9)2/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyYQMHDDHSSQDTGN-UHFFFAOYSA-N
XLogP-0.34
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione (CID 167938342) is 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione is Cc1cc(=O)c(OCc2cc(=O)n(C)c(=O)n2C)c[nH]1.
What is the InChIKey of 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione?
The InChIKey is YQMHDDHSSQDTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8-4-10(17)11(6-14-8)20-7-9-5-12(18)16(3)13(19)15(9)2/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxymethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 167938342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).