2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-

C6H8N2O2 — CID 88193

IUPAC3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCC1=CC(=O)N(C(=O)N1)C
InChIInChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)
InChIKeyCFADSIBRSRZBQO-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.60
Rot. Bonds

About 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-

2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl- (PubChem CID 88193) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
PubChem CID88193
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCC1=CC(=O)N(C(=O)N1)C
InChIInChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10)
InChIKeyCFADSIBRSRZBQO-UHFFFAOYSA-N
XLogP-0.60
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity220

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-?
The IUPAC name of 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl- (CID 88193) is 3,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-?
The canonical SMILES for 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl- is CC1=CC(=O)N(C(=O)N1)C.
What is the InChIKey of 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-?
The InChIKey is CFADSIBRSRZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-5(9)8(2)6(10)7-4/h3H,1-2H3,(H,7,10).
What are the key properties of 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-?
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl- has a molecular weight of 140.14 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl- is sourced from PubChem (CID 88193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).