2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one

C8H10N2O2 — CID 12945281

IUPAC2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H10N2O2/c1-12-7-4-6(11)9-8(10-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyKVELFNXOYZJMCS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.66
Rot. Bonds2

About 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one

2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one (PubChem CID 12945281) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one
PubChem CID12945281
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C8H10N2O2/c1-12-7-4-6(11)9-8(10-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKeyKVELFNXOYZJMCS-UHFFFAOYSA-N
XLogP0.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one (CID 12945281) is 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one?
The InChIKey is KVELFNXOYZJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-7-4-6(11)9-8(10-7)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 12945281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).