4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

C9H12N2O2 — CID 106207968

IUPAC4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CC2)nc[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-4-3-7-1-2-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyXROBGXAPQJNDCV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds4

About 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (PubChem CID 106207968) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
PubChem CID106207968
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCCC2CC2)nc[nH]1
InChIInChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-4-3-7-1-2-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyXROBGXAPQJNDCV-UHFFFAOYSA-N
XLogP0.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 59665181
4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240613
4-cyclopropyloxy-1H-pyrimidin-6-one
CID 178112215
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-hexoxy-1H-pyrimidin-6-one
CID 103240497
4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528
4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240733
4-(cyclopropylmethoxy)-1H-pyrimidin-6-one
CID 103240778
4-butoxy-1H-pyrimidin-6-one
CID 103240838
4-pentoxy-1H-pyrimidin-6-one
CID 103240848
4-(oxolan-3-ylmethoxy)-1H-pyrimidin-6-one
CID 103241499

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (CID 106207968) is 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is O=c1cc(OCCC2CC2)nc[nH]1.
What is the InChIKey of 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The InChIKey is XROBGXAPQJNDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-5-9(11-6-10-8)13-4-3-7-1-2-7/h5-7H,1-4H2,(H,10,11,12).
What are the key properties of 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).