4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one

C11H17IN4O — CID 136957018

IUPAC4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2I)CCN1C
InChIInChI=1S/C11H17IN4O/c1-7-5-8(3-4-16(7)2)15-10-9(12)11(17)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeyPPMZDJVNCAMFIF-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.27
Rot. Bonds2

About 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957018) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957018
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2I)CCN1C
InChIInChI=1S/C11H17IN4O/c1-7-5-8(3-4-16(7)2)15-10-9(12)11(17)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeyPPMZDJVNCAMFIF-UHFFFAOYSA-N
XLogP1.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.27
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

6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
5-Iodo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308863
5-Iodo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66340659
5-Iodo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340660
3-[3-(Cyclohexylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342456
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957018) is 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one is CC1CC(Nc2nc[nH]c(=O)c2I)CCN1C.
What is the InChIKey of 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PPMZDJVNCAMFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-7-5-8(3-4-16(7)2)15-10-9(12)11(17)14-6-13-10/h6-8H,3-5H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 348.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethylpiperidin-4-yl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).