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

C10H14IN3O — CID 136993934

IUPAC5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-7-2-4-14(5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyYMBMAEXBZXRSRK-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.61
Rot. Bonds1

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

5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136993934) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136993934
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-7-2-4-14(5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeyYMBMAEXBZXRSRK-UHFFFAOYSA-N
XLogP1.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
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-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340229
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
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136993934) is 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is YMBMAEXBZXRSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-7-2-4-14(5-3-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136993934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).