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

C12H18IN3O — CID 105061181

IUPAC5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCC2CCNCC2)c(=O)c1I
InChIInChI=1S/C12H18IN3O/c1-9-11(13)12(17)16(8-15-9)7-4-10-2-5-14-6-3-10/h8,10,14H,2-7H2,1H3
InChIKeySRZPUHGGZJGUKP-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.55
Rot. Bonds3

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

5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one (PubChem CID 105061181) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
PubChem CID105061181
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCC2CCNCC2)c(=O)c1I
InChIInChI=1S/C12H18IN3O/c1-9-11(13)12(17)16(8-15-9)7-4-10-2-5-14-6-3-10/h8,10,14H,2-7H2,1H3
InChIKeySRZPUHGGZJGUKP-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-piperidin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one (CID 105061181) is 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one is Cc1ncn(CCC2CCNCC2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The InChIKey is SRZPUHGGZJGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-9-11(13)12(17)16(8-15-9)7-4-10-2-5-14-6-3-10/h8,10,14H,2-7H2,1H3.
What are the key properties of 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one has a molecular weight of 347.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 105061181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).