4-(cyclopropylmethoxy)-1H-pyrimidin-6-one

C8H10N2O2 — CID 103240778

IUPAC4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CC2)nc[nH]1
InChIInChI=1S/C8H10N2O2/c11-7-3-8(10-5-9-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10,11)
InChIKeyLELQLHMUWXUMBG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.56
Rot. Bonds3

About 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one

4-(cyclopropylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103240778) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
PubChem CID103240778
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CC2)nc[nH]1
InChIInChI=1S/C8H10N2O2/c11-7-3-8(10-5-9-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10,11)
InChIKeyLELQLHMUWXUMBG-UHFFFAOYSA-N
XLogP0.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,3-trifluorobutoxy)-1H-pyrimidin-6-one
CID 159056896
4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241918
6-ethoxypyrimidin-4(1H)-one
CID 45080261
4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-propoxy-1H-pyrimidin-6-one
CID 89293896
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240436
4-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-6-one
CID 103240458
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240589
4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240667

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one (CID 103240778) is 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CC2)nc[nH]1.
What is the InChIKey of 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is LELQLHMUWXUMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7-3-8(10-5-9-7)12-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,9,10,11).
What are the key properties of 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one?
4-(cyclopropylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).