5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one

C11H17IN4O — CID 66340445

IUPAC5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCNCC2)c(=O)c1I
InChIInChI=1S/C11H17IN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3
InChIKeyXWIUHWZHQLDQFM-UHFFFAOYSA-N
MW348.19 g/mol
LogP0.06
Rot. Bonds3

About 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one

5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66340445) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66340445
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCNCC2)c(=O)c1I
InChIInChI=1S/C11H17IN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3
InChIKeyXWIUHWZHQLDQFM-UHFFFAOYSA-N
XLogP0.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol
CID 135481922
5-Iodo-6-methyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-4-one
CID 66341579
4-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 136323058
6-Methyl-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 61225138
6-Methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 61684044
3-[2-[2-(Dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
CID 62562380
3-[2-[2-(Diethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
CID 62562382
5-Bromo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308534
5-Iodo-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66308652
3-(2-Aminoethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66311020
5-Iodo-6-methyl-3-[2-(3-methylbutan-2-ylamino)ethyl]pyrimidin-4-one
CID 66339799
3-[2-(3,3-Dimethylbutylamino)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339802

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66340445) is 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CCN2CCNCC2)c(=O)c1I.
What is the InChIKey of 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is XWIUHWZHQLDQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-9-10(12)11(17)16(8-14-9)7-6-15-4-2-13-3-5-15/h8,13H,2-7H2,1H3.
What are the key properties of 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 348.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66340445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).