2-(2-methylcyclopropyl)-1H-pyrimidin-6-one

C8H10N2O — CID 65421462

IUPAC2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O/c1-5-4-6(5)8-9-3-2-7(11)10-8/h2-3,5-6H,4H2,1H3,(H,9,10,11)
InChIKeyMXUXSMOWOXQABA-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.89
Rot. Bonds1

About 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one

2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (PubChem CID 65421462) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
PubChem CID65421462
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(2-methylcyclopropyl)-1H-pyrimidin-6-one
SMILESCC1CC1c1nccc(=O)[nH]1
InChIInChI=1S/C8H10N2O/c1-5-4-6(5)8-9-3-2-7(11)10-8/h2-3,5-6H,4H2,1H3,(H,9,10,11)
InChIKeyMXUXSMOWOXQABA-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one (CID 65421462) is 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is CC1CC1c1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
The InChIKey is MXUXSMOWOXQABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-4-6(5)8-9-3-2-7(11)10-8/h2-3,5-6H,4H2,1H3,(H,9,10,11).
What are the key properties of 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one?
2-(2-methylcyclopropyl)-1H-pyrimidin-6-one has a molecular weight of 150.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65421462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).