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

C13H21IN4O — CID 136805369

IUPAC5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyGAPWEMYAMBXIIT-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.59
Rot. Bonds5

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

5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805369) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805369
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19)
InChIKeyGAPWEMYAMBXIIT-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-iodo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015676
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309508
5-Iodo-2-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66341161
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-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-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805369) is 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCNC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is GAPWEMYAMBXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O/c1-2-6-18(8-10-4-3-5-15-7-10)12-11(14)13(19)17-9-16-12/h9-10,15H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 1.59, 5 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(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).