5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C10H13IN2O2 — CID 66342669

IUPAC5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CCCO2)c(=O)c1I
InChIInChI=1S/C10H13IN2O2/c1-7-9(11)10(14)13(6-12-7)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3
InChIKeyPLERWJGOOWKPIG-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.34
Rot. Bonds2

About 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 66342669) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID66342669
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CCCO2)c(=O)c1I
InChIInChI=1S/C10H13IN2O2/c1-7-9(11)10(14)13(6-12-7)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3
InChIKeyPLERWJGOOWKPIG-UHFFFAOYSA-N
XLogP1.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.34
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 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 66342669) is 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is Cc1ncn(CC2CCCO2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is PLERWJGOOWKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-7-9(11)10(14)13(6-12-7)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3.
What are the key properties of 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 320.13 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66342669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).