3,5-dimethyl-5H-pyrimidine-2,4-dione

C6H8N2O2 — CID 138458704

IUPAC3,5-dimethyl-5H-pyrimidine-2,4-dione
SMILESCC1C=NC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3-4H,1-2H3
InChIKeyMBIWZFFGQVBEMH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.29
Rot. Bonds

About 3,5-dimethyl-5H-pyrimidine-2,4-dione

3,5-dimethyl-5H-pyrimidine-2,4-dione (PubChem CID 138458704) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3,5-dimethyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-dimethyl-5H-pyrimidine-2,4-dione
PubChem CID138458704
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3,5-dimethyl-5H-pyrimidine-2,4-dione
SMILESCC1C=NC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3-4H,1-2H3
InChIKeyMBIWZFFGQVBEMH-UHFFFAOYSA-N
XLogP0.29
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-5H-pyrimidine-2,4-dione?
The IUPAC name of 3,5-dimethyl-5H-pyrimidine-2,4-dione (CID 138458704) is 3,5-dimethyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,5-dimethyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for 3,5-dimethyl-5H-pyrimidine-2,4-dione is CC1C=NC(=O)N(C)C1=O.
What is the InChIKey of 3,5-dimethyl-5H-pyrimidine-2,4-dione?
The InChIKey is MBIWZFFGQVBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3-4H,1-2H3.
What are the key properties of 3,5-dimethyl-5H-pyrimidine-2,4-dione?
3,5-dimethyl-5H-pyrimidine-2,4-dione has a molecular weight of 140.14 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 138458704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).