5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one

C8H11IN4O — CID 136957743

IUPAC5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCNCC2)c1I
InChIInChI=1S/C8H11IN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14)
InChIKeyAWMOPLLCZLGZSS-UHFFFAOYSA-N
MW306.11 g/mol
LogP-0.22
Rot. Bonds1

About 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one

5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 136957743) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID136957743
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCNCC2)c1I
InChIInChI=1S/C8H11IN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14)
InChIKeyAWMOPLLCZLGZSS-UHFFFAOYSA-N
XLogP-0.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 5-0.22
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-(1-oxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136994013
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
5-bromo-4-(1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136958157
4-[4-(bromomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136971982
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954302
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978434
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136742765
4-[4-(5-aminopentyl)piperazin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136972671
4-[4-(aminomethyl)-4-methylsulfanylpiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137015987
4-(3,3-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957881

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one (CID 136957743) is 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCNCC2)c1I.
What is the InChIKey of 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is AWMOPLLCZLGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c9-6-7(11-5-12-8(6)14)13-3-1-10-2-4-13/h5,10H,1-4H2,(H,11,12,14).
What are the key properties of 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one?
5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 306.11 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).