6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one

C8H10ClIN2O2 — CID 114583844

IUPAC6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C8H10ClIN2O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3H2,1-2H3
InChIKeyCIZUUYWEWGRMHJ-UHFFFAOYSA-N
MW328.54 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one

6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one (PubChem CID 114583844) has the molecular formula C8H10ClIN2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one
PubChem CID114583844
Molecular FormulaC8H10ClIN2O2
Molecular Weight328.54 g/mol
Exact Mass327.95
IUPAC Name6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one
SMILESCOCC(C)n1cnc(Cl)c(I)c1=O
InChIInChI=1S/C8H10ClIN2O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3H2,1-2H3
InChIKeyCIZUUYWEWGRMHJ-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one (CID 114583844) is 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one is COCC(C)n1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
The InChIKey is CIZUUYWEWGRMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClIN2O2/c1-5(3-14-2)12-4-11-7(9)6(10)8(12)13/h4-5H,3H2,1-2H3.
What are the key properties of 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one?
6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one has a molecular weight of 328.54 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114583844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).