5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione

C12H13N3O3 — CID 177336311

IUPAC5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
SMILESCOc1cn(C)c(=O)n(-c2ccc(C)nc2)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-4-5-9(6-13-8)15-11(16)10(18-3)7-14(2)12(15)17/h4-7H,1-3H3
InChIKeyLBHIOFSAJKPCIM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.25
Rot. Bonds2

About 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione

5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione (PubChem CID 177336311) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
PubChem CID177336311
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione
SMILESCOc1cn(C)c(=O)n(-c2ccc(C)nc2)c1=O
InChIInChI=1S/C12H13N3O3/c1-8-4-5-9(6-13-8)15-11(16)10(18-3)7-14(2)12(15)17/h4-7H,1-3H3
InChIKeyLBHIOFSAJKPCIM-UHFFFAOYSA-N
XLogP0.25
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione (CID 177336311) is 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione is COc1cn(C)c(=O)n(-c2ccc(C)nc2)c1=O.
What is the InChIKey of 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione?
The InChIKey is LBHIOFSAJKPCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-4-5-9(6-13-8)15-11(16)10(18-3)7-14(2)12(15)17/h4-7H,1-3H3.
What are the key properties of 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione?
5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione has a molecular weight of 247.25 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(6-methyl-3-pyridinyl)pyrimidine-2,4-dione is sourced from PubChem (CID 177336311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).