6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione

C8H10N2O2 — CID 22075424

IUPAC6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeySJCKLNPJUZKFGN-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.05
Rot. Bonds1

About 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione

6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 22075424) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID22075424
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12)
InChIKeySJCKLNPJUZKFGN-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione (CID 22075424) is 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SJCKLNPJUZKFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7(11)4-6(5-2-3-5)9-8(10)12/h4-5H,2-3H2,1H3,(H,9,12).
What are the key properties of 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione?
6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22075424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).