5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one

C10H12BrClN2O2 — CID 114583686

IUPAC5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC1CCCCO1
InChIInChI=1S/C10H12BrClN2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2
InChIKeyQMTUUWRNOPFFSD-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.23
Rot. Bonds2

About 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 114583686) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID114583686
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC1CCCCO1
InChIInChI=1S/C10H12BrClN2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2
InChIKeyQMTUUWRNOPFFSD-UHFFFAOYSA-N
XLogP2.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 114583686) is 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CC1CCCCO1.
What is the InChIKey of 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is QMTUUWRNOPFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c11-8-9(12)13-6-14(10(8)15)5-7-3-1-2-4-16-7/h6-7H,1-5H2.
What are the key properties of 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 307.58 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114583686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).