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

C10H15IN4O2 — CID 122684145

IUPAC5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1nc(N2CCN(C)CC2)[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-14-3-5-15(6-4-14)10-12-8(16)7(11)9(13-10)17-2/h3-6H2,1-2H3,(H,12,13,16)
InChIKeyVCAJQXUFJSDGEI-UHFFFAOYSA-N
MW350.16 g/mol
LogP0.13
Rot. Bonds2

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

5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 122684145) has the molecular formula C10H15IN4O2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID122684145
Molecular FormulaC10H15IN4O2
Molecular Weight350.16 g/mol
Exact Mass350.02
IUPAC Name5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1nc(N2CCN(C)CC2)[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O2/c1-14-3-5-15(6-4-14)10-12-8(16)7(11)9(13-10)17-2/h3-6H2,1-2H3,(H,12,13,16)
InChIKeyVCAJQXUFJSDGEI-UHFFFAOYSA-N
XLogP0.13
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 122684145) is 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1nc(N2CCN(C)CC2)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VCAJQXUFJSDGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O2/c1-14-3-5-15(6-4-14)10-12-8(16)7(11)9(13-10)17-2/h3-6H2,1-2H3,(H,12,13,16).
What are the key properties of 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 350.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122684145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).