5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C10H14BrClN2O2 — CID 103036364

IUPAC5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-10(2,16-3)4-5-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyUMEMVOSJYGJPGB-UHFFFAOYSA-N
MW309.59 g/mol
LogP2.47
Rot. Bonds4

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

5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036364) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036364
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-10(2,16-3)4-5-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyUMEMVOSJYGJPGB-UHFFFAOYSA-N
XLogP2.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036343
5-Bromo-3-(3-methoxy-3-methylbutyl)-6-methylpyrimidin-4-one
CID 103036344
6-Chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036361
5,6-Dichloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036363
6-Chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036365
5-Bromo-6-chloro-3-[3-(2-methoxyethoxy)propyl]pyrimidin-4-one
CID 103411728
5-Bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
CID 114583309
5-Bromo-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114583315
5-Bromo-6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114583447
5-Bromo-6-chloro-3-(3,3-dimethylbutyl)pyrimidin-4-one
CID 114583462
5-Bromo-6-chloro-3-(4-methoxybutyl)pyrimidin-4-one
CID 114583463
5-Bromo-6-chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114583479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036364) is 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is UMEMVOSJYGJPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c1-10(2,16-3)4-5-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3.
What are the key properties of 5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 309.59 g/mol, XLogP of 2.47, 4 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-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).