5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C12H16IN3O2 — CID 66340435

IUPAC5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCCC2)c(=O)c1I
InChIInChI=1S/C12H16IN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3
InChIKeyQDYXRVHTBGURJV-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.17
Rot. Bonds2

About 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66340435) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID66340435
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCCC2)c(=O)c1I
InChIInChI=1S/C12H16IN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3
InChIKeyQDYXRVHTBGURJV-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.17
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-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 66340435) is 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CC(=O)N2CCCCC2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is QDYXRVHTBGURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3.
What are the key properties of 5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
5-iodo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 361.18 g/mol, XLogP of 1.17, 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-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66340435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).