5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one

C11H17IN4O — CID 136956457

IUPAC5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H17IN4O/c1-16-4-2-8(3-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyLFZWSHZLFXZMHQ-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.13
Rot. Bonds3

About 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956457) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956457
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H17IN4O/c1-16-4-2-8(3-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyLFZWSHZLFXZMHQ-UHFFFAOYSA-N
XLogP1.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
5-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
6-Amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
CID 175053872
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308649
5-Iodo-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309296
5-Iodo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340229
5-Iodo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66341340
5-Iodo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061180
5-Iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061181
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136956457) is 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is CN1CCC(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is LFZWSHZLFXZMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-16-4-2-8(3-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 348.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).