5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

C11H16IN3O — CID 66309078

IUPAC5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCCC1CCCN1
InChIInChI=1S/C11H16IN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2
InChIKeyQMBIUFRMUWIQBC-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.38
Rot. Bonds4

About 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (PubChem CID 66309078) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
PubChem CID66309078
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCCC1CCCN1
InChIInChI=1S/C11H16IN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2
InChIKeyQMBIUFRMUWIQBC-UHFFFAOYSA-N
XLogP1.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 63769528
CID 63769528
CID 66308042
CID 66308042
CID 66308214
CID 66308214
CID 66308650
CID 66308650
CID 66308862
CID 66308862
CID 66308863
CID 66308863
CID 66308866
CID 66308866
CID 66308870
CID 66308870
CID 66308875
CID 66308875
CID 66309293
CID 66309293
CID 66309937
CID 66309937
CID 66310180
CID 66310180

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (CID 66309078) is 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is O=c1c(I)cncn1CCCC1CCCN1.
What is the InChIKey of 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The InChIKey is QMBIUFRMUWIQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2.
What are the key properties of 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one has a molecular weight of 333.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 66309078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).