4,6-dicyclopropyl-1H-pyrimidin-2-one

C10H12N2O — CID 130056137

IUPAC4,6-dicyclopropyl-1H-pyrimidin-2-one
SMILESO=c1nc(C2CC2)cc(C2CC2)[nH]1
InChIInChI=1S/C10H12N2O/c13-10-11-8(6-1-2-6)5-9(12-10)7-3-4-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyLMEMWYXHJULLJY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.52
Rot. Bonds2

About 4,6-dicyclopropyl-1H-pyrimidin-2-one

4,6-dicyclopropyl-1H-pyrimidin-2-one (PubChem CID 130056137) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,6-dicyclopropyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dicyclopropyl-1H-pyrimidin-2-one
PubChem CID130056137
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4,6-dicyclopropyl-1H-pyrimidin-2-one
SMILESO=c1nc(C2CC2)cc(C2CC2)[nH]1
InChIInChI=1S/C10H12N2O/c13-10-11-8(6-1-2-6)5-9(12-10)7-3-4-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyLMEMWYXHJULLJY-UHFFFAOYSA-N
XLogP1.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dicyclopropyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dicyclopropyl-1H-pyrimidin-2-one (CID 130056137) is 4,6-dicyclopropyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dicyclopropyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dicyclopropyl-1H-pyrimidin-2-one is O=c1nc(C2CC2)cc(C2CC2)[nH]1.
What is the InChIKey of 4,6-dicyclopropyl-1H-pyrimidin-2-one?
The InChIKey is LMEMWYXHJULLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-11-8(6-1-2-6)5-9(12-10)7-3-4-7/h5-7H,1-4H2,(H,11,12,13).
What are the key properties of 4,6-dicyclopropyl-1H-pyrimidin-2-one?
4,6-dicyclopropyl-1H-pyrimidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicyclopropyl-1H-pyrimidin-2-one is sourced from PubChem (CID 130056137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).