6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one

C9H10ClIN2O2 — CID 107137210

IUPAC6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1C1CCCOC1
InChIInChI=1S/C9H10ClIN2O2/c10-8-7(11)9(14)13(5-12-8)6-2-1-3-15-4-6/h5-6H,1-4H2
InChIKeyORODAIWYDGGEIJ-UHFFFAOYSA-N
MW340.55 g/mol
LogP1.85
Rot. Bonds1

About 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one

6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one (PubChem CID 107137210) has the molecular formula C9H10ClIN2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one
PubChem CID107137210
Molecular FormulaC9H10ClIN2O2
Molecular Weight340.55 g/mol
Exact Mass339.95
IUPAC Name6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1C1CCCOC1
InChIInChI=1S/C9H10ClIN2O2/c10-8-7(11)9(14)13(5-12-8)6-2-1-3-15-4-6/h5-6H,1-4H2
InChIKeyORODAIWYDGGEIJ-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2-methyl-3-(oxan-3-yl)pyrimidin-4-one
CID 107137205
6-Chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137206
5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
5,6-Dichloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137208
5-Bromo-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137209
6-Chloro-5-methoxy-3-(oxan-3-yl)pyrimidin-4-one
CID 107137211
3-(2-Butoxyethyl)-6-chloro-5-iodopyrimidin-4-one
CID 114583769
6-Chloro-5-iodo-3-(oxolan-3-yl)pyrimidin-4-one
CID 114583792
6-Chloro-5-iodo-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 114583793
6-Chloro-5-iodo-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114583844
6-Chloro-5-iodo-3-(oxan-4-yl)pyrimidin-4-one
CID 114583972
6-Chloro-5-iodo-3-(oxan-2-ylmethyl)pyrimidin-4-one
CID 114584117

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one (CID 107137210) is 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one is O=c1c(I)c(Cl)ncn1C1CCCOC1.
What is the InChIKey of 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one?
The InChIKey is ORODAIWYDGGEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O2/c10-8-7(11)9(14)13(5-12-8)6-2-1-3-15-4-6/h5-6H,1-4H2.
What are the key properties of 6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one?
6-chloro-5-iodo-3-(oxan-3-yl)pyrimidin-4-one has a molecular weight of 340.55 g/mol, XLogP of 1.85, 1 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-(oxan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 107137210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).