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

C9H11ClN2O2 — CID 106203656

IUPAC5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeySVOYBMIIGHDROU-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (PubChem CID 106203656) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
PubChem CID106203656
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeySVOYBMIIGHDROU-UHFFFAOYSA-N
XLogP1.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983136
5-chloro-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284591
5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203664
4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203666
5-chloro-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203679
5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207963
4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207968
5-chloro-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448541
5-chloro-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666423
5-chloro-4-hexoxy-1H-pyrimidin-6-one
CID 114675877
5-chloro-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 114675901
5-chloro-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676085

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (CID 106203656) is 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The InChIKey is SVOYBMIIGHDROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one has a molecular weight of 214.65 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106203656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).