5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one

C10H14BrClN2O2 — CID 114583309

IUPAC5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
SMILESCC(C)(C)OCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyKVUNNNUPXDTLNT-UHFFFAOYSA-N
MW309.59 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one

5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one (PubChem CID 114583309) has the molecular formula C10H14BrClN2O2 and a molecular weight of 309.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
PubChem CID114583309
Molecular FormulaC10H14BrClN2O2
Molecular Weight309.59 g/mol
Exact Mass307.99
IUPAC Name5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one
SMILESCC(C)(C)OCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C10H14BrClN2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3
InChIKeyKVUNNNUPXDTLNT-UHFFFAOYSA-N
XLogP2.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one (CID 114583309) is 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one is CC(C)(C)OCCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
The InChIKey is KVUNNNUPXDTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2/c1-10(2,3)16-5-4-14-6-13-8(12)7(11)9(14)15/h6H,4-5H2,1-3H3.
What are the key properties of 5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one has a molecular weight of 309.59 g/mol, XLogP of 2.47, 3 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-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).