5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one

C7H8Cl2N2O2 — CID 114582978

IUPAC5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-4(12)2-11-3-10-6(9)5(8)7(11)13/h3-4,12H,2H2,1H3
InChIKeyLSPJWHKLTQKESP-UHFFFAOYSA-N
MW223.06 g/mol
LogP0.93
Rot. Bonds2

About 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one

5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one (PubChem CID 114582978) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one
PubChem CID114582978
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-4(12)2-11-3-10-6(9)5(8)7(11)13/h3-4,12H,2H2,1H3
InChIKeyLSPJWHKLTQKESP-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one (CID 114582978) is 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one is CC(O)Cn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one?
The InChIKey is LSPJWHKLTQKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c1-4(12)2-11-3-10-6(9)5(8)7(11)13/h3-4,12H,2H2,1H3.
What are the key properties of 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one?
5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one has a molecular weight of 223.06 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).