5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C12H19IN4O — CID 136956478

IUPAC5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H19IN4O/c1-2-5-17-6-3-9(4-7-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyVCCQQYOZUWDPBI-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.66
Rot. Bonds4

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

5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956478) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956478
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCCCN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H19IN4O/c1-2-5-17-6-3-9(4-7-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyVCCQQYOZUWDPBI-UHFFFAOYSA-N
XLogP1.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[(1-propylpiperidin-4-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

6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
5-Iodo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308863
5-Iodo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340660
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
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
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136956478) is 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CCCN1CCC(Nc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VCCQQYOZUWDPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O/c1-2-5-17-6-3-9(4-7-17)16-11-10(13)12(18)15-8-14-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 362.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).