6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one

C12H19IN4O — CID 175053872

IUPAC6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC(C)(C)CC2)nc(N)c(I)c1=O
InChIInChI=1S/C12H19IN4O/c1-12(2)4-6-17(7-5-12)11-15-9(14)8(13)10(18)16(11)3/h4-7,14H2,1-3H3
InChIKeyZKQUURLMGKRRLS-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.59
Rot. Bonds1

About 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one

6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one (PubChem CID 175053872) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
PubChem CID175053872
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC(C)(C)CC2)nc(N)c(I)c1=O
InChIInChI=1S/C12H19IN4O/c1-12(2)4-6-17(7-5-12)11-15-9(14)8(13)10(18)16(11)3/h4-7,14H2,1-3H3
InChIKeyZKQUURLMGKRRLS-UHFFFAOYSA-N
XLogP1.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.59
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-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one (CID 175053872) is 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one is Cn1c(N2CCC(C)(C)CC2)nc(N)c(I)c1=O.
What is the InChIKey of 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one?
The InChIKey is ZKQUURLMGKRRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O/c1-12(2)4-6-17(7-5-12)11-15-9(14)8(13)10(18)16(11)3/h4-7,14H2,1-3H3.
What are the key properties of 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one?
6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one has a molecular weight of 362.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one is sourced from PubChem (CID 175053872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).