5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one

C13H21IN4O — CID 136955965

IUPAC5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC1CCCCN1CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyDTPNICWKCZNHTI-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.05
Rot. Bonds5

About 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one

5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one (PubChem CID 136955965) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
PubChem CID136955965
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
SMILESCC1CCCCN1CCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C13H21IN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(14)13(19)17-9-16-12/h9-10H,2-8H2,1H3,(H2,15,16,17,19)
InChIKeyDTPNICWKCZNHTI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one (CID 136955965) is 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one is CC1CCCCN1CCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is DTPNICWKCZNHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4O/c1-10-5-2-3-7-18(10)8-4-6-15-12-11(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-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one?
5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).