3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one

C11H15IN2O — CID 66339816

IUPAC3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CCCC1
InChIInChI=1S/C11H15IN2O/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3
InChIKeyFWWVJYVJOHPFSC-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.35
Rot. Bonds2

About 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one

3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one (PubChem CID 66339816) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one
PubChem CID66339816
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC1CCCC1
InChIInChI=1S/C11H15IN2O/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3
InChIKeyFWWVJYVJOHPFSC-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The IUPAC name of 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one (CID 66339816) is 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one is Cc1ncc(I)c(=O)n1CC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one?
The InChIKey is FWWVJYVJOHPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-8-13-6-10(12)11(15)14(8)7-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one?
3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one has a molecular weight of 318.16 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5-iodo-2-methylpyrimidin-4-one is sourced from PubChem (CID 66339816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).