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

C8H10N2O2 — CID 83873435

IUPAC3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-5-4-7(11)10(6-2-3-6)8(12)9-5/h4,6H,2-3H2,1H3,(H,9,12)
InChIKeyJJOWJUFQMJAUQP-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.18
Rot. Bonds1

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

3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 83873435) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID83873435
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C2CC2)c(=O)[nH]1
InChIInChI=1S/C8H10N2O2/c1-5-4-7(11)10(6-2-3-6)8(12)9-5/h4,6H,2-3H2,1H3,(H,9,12)
InChIKeyJJOWJUFQMJAUQP-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione (CID 83873435) is 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(C2CC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JJOWJUFQMJAUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-4-7(11)10(6-2-3-6)8(12)9-5/h4,6H,2-3H2,1H3,(H,9,12).
What are the key properties of 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione?
3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83873435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).