5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C9H13IN4O — CID 66315757

IUPAC5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(I)c(=O)[nH]2)CC1
InChIInChI=1S/C9H13IN4O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyUMUCSEXMPBTEKT-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.13
Rot. Bonds1

About 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 66315757) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID66315757
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCN1CCN(c2ncc(I)c(=O)[nH]2)CC1
InChIInChI=1S/C9H13IN4O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5H2,1H3,(H,11,12,15)
InChIKeyUMUCSEXMPBTEKT-UHFFFAOYSA-N
XLogP0.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-2-(4-methyl-1-piperazinyl)-4(3H)-pyrimidinone
CID 135517723
2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
5-fluoro-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124908401
2-(4-acetylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 101705350
2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 1404181
2-piperazin-1-yl-1H-pyrimidin-6-one
CID 1404239
2-amino-5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 18432582
2-(4-acetylpiperazin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 54052202
5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 122684145
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
6-Amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 175603032
5-amino-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 28908148

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 66315757) is 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CN1CCN(c2ncc(I)c(=O)[nH]2)CC1.
What is the InChIKey of 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UMUCSEXMPBTEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O/c1-13-2-4-14(5-3-13)9-11-6-7(10)8(15)12-9/h6H,2-5H2,1H3,(H,11,12,15).
What are the key properties of 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66315757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).