5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

C13H21IN4O — CID 136956248

IUPAC5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1I)CN1CCCCC1
InChIInChI=1S/C13H21IN4O/c1-10(8-18-5-3-2-4-6-18)7-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyXCDIXZXDARBRAD-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.91
Rot. Bonds5

About 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956248) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136956248
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(CNc1nc[nH]c(=O)c1I)CN1CCCCC1
InChIInChI=1S/C13H21IN4O/c1-10(8-18-5-3-2-4-6-18)7-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyXCDIXZXDARBRAD-UHFFFAOYSA-N
XLogP1.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.91
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-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66341341
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
5-iodo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805300
5-iodo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805324

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one (CID 136956248) is 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is CC(CNc1nc[nH]c(=O)c1I)CN1CCCCC1.
What is the InChIKey of 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XCDIXZXDARBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O/c1-10(8-18-5-3-2-4-6-18)7-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19).
What are the key properties of 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).