5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one

C7H8BrClN2O2 — CID 114583347

IUPAC5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCO
InChIInChI=1S/C7H8BrClN2O2/c8-5-6(9)10-4-11(7(5)13)2-1-3-12/h4,12H,1-3H2
InChIKeyUNEJPTKLVJKXFT-UHFFFAOYSA-N
MW267.51 g/mol
LogP1.04
Rot. Bonds3

About 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one

5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 114583347) has the molecular formula C7H8BrClN2O2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID114583347
Molecular FormulaC7H8BrClN2O2
Molecular Weight267.51 g/mol
Exact Mass265.95
IUPAC Name5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CCCO
InChIInChI=1S/C7H8BrClN2O2/c8-5-6(9)10-4-11(7(5)13)2-1-3-12/h4,12H,1-3H2
InChIKeyUNEJPTKLVJKXFT-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one (CID 114583347) is 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CCCO.
What is the InChIKey of 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is UNEJPTKLVJKXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O2/c8-5-6(9)10-4-11(7(5)13)2-1-3-12/h4,12H,1-3H2.
What are the key properties of 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 267.51 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).