6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

C11H17IN4O — CID 175829408

IUPAC6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCC1CCN(c2nc(N)c(I)c(=O)n2C)CC1
InChIInChI=1S/C11H17IN4O/c1-7-3-5-16(6-4-7)11-14-9(13)8(12)10(17)15(11)2/h7H,3-6,13H2,1-2H3
InChIKeyHCYWSUAQDBMGLB-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.20
Rot. Bonds1

About 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one

6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (PubChem CID 175829408) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
PubChem CID175829408
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
SMILESCC1CCN(c2nc(N)c(I)c(=O)n2C)CC1
InChIInChI=1S/C11H17IN4O/c1-7-3-5-16(6-4-7)11-14-9(13)8(12)10(17)15(11)2/h7H,3-6,13H2,1-2H3
InChIKeyHCYWSUAQDBMGLB-UHFFFAOYSA-N
XLogP1.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one (CID 175829408) is 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is CC1CCN(c2nc(N)c(I)c(=O)n2C)CC1.
What is the InChIKey of 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
The InChIKey is HCYWSUAQDBMGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-7-3-5-16(6-4-7)11-14-9(13)8(12)10(17)15(11)2/h7H,3-6,13H2,1-2H3.
What are the key properties of 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one?
6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one has a molecular weight of 348.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 175829408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).