5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C13H21IN4O — CID 136805341

IUPAC5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(CC1CCCNC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-9(2)18(7-10-4-3-5-15-6-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyRHFLADGPUYUJAG-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.59
Rot. Bonds4

About 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136805341) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136805341
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(CC1CCCNC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-9(2)18(7-10-4-3-5-15-6-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7H2,1-2H3,(H,16,17,19)
InChIKeyRHFLADGPUYUJAG-UHFFFAOYSA-N
XLogP1.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66341341
5-Iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061181
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
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-[(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
5-iodo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781022
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805290

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 136805341) is 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)N(CC1CCCNC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RHFLADGPUYUJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O/c1-9(2)18(7-10-4-3-5-15-6-10)12-11(14)13(19)17-8-16-12/h8-10,15H,3-7H2,1-2H3,(H,16,17,19).
What are the key properties of 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).