3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione

C11H12N4O4 — CID 15503112

IUPAC3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(Cn2ccc(=O)n(C)c2=O)c1=O
InChIInChI=1S/C11H12N4O4/c1-12-8(16)3-5-14(10(12)18)7-15-6-4-9(17)13(2)11(15)19/h3-6H,7H2,1-2H3
InChIKeyBSDXOOXJNKPIEC-UHFFFAOYSA-N
MW264.24 g/mol
LogP-2.09
Rot. Bonds2

About 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione

3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 15503112) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID15503112
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(Cn2ccc(=O)n(C)c2=O)c1=O
InChIInChI=1S/C11H12N4O4/c1-12-8(16)3-5-14(10(12)18)7-15-6-4-9(17)13(2)11(15)19/h3-6H,7H2,1-2H3
InChIKeyBSDXOOXJNKPIEC-UHFFFAOYSA-N
XLogP-2.09
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione (CID 15503112) is 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione is Cn1c(=O)ccn(Cn2ccc(=O)n(C)c2=O)c1=O.
What is the InChIKey of 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is BSDXOOXJNKPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-12-8(16)3-5-14(10(12)18)7-15-6-4-9(17)13(2)11(15)19/h3-6H,7H2,1-2H3.
What are the key properties of 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 264.24 g/mol, XLogP of -2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 15503112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).