6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one

C9H14IN5O — CID 175603032

IUPAC6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)c(I)c1=O
InChIInChI=1S/C9H14IN5O/c1-14-8(16)6(10)7(11)13-9(14)15-4-2-12-3-5-15/h12H,2-5,11H2,1H3
InChIKeyPDZFNVZCTADJSB-UHFFFAOYSA-N
MW335.15 g/mol
LogP-0.62
Rot. Bonds1

About 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one

6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one (PubChem CID 175603032) has the molecular formula C9H14IN5O and a molecular weight of 335.15 g/mol. Its IUPAC name is 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
PubChem CID175603032
Molecular FormulaC9H14IN5O
Molecular Weight335.15 g/mol
Exact Mass335.02
IUPAC Name6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(N2CCNCC2)nc(N)c(I)c1=O
InChIInChI=1S/C9H14IN5O/c1-14-8(16)6(10)7(11)13-9(14)15-4-2-12-3-5-15/h12H,2-5,11H2,1H3
InChIKeyPDZFNVZCTADJSB-UHFFFAOYSA-N
XLogP-0.62
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one (CID 175603032) is 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one is Cn1c(N2CCNCC2)nc(N)c(I)c1=O.
What is the InChIKey of 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
The InChIKey is PDZFNVZCTADJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN5O/c1-14-8(16)6(10)7(11)13-9(14)15-4-2-12-3-5-15/h12H,2-5,11H2,1H3.
What are the key properties of 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one?
6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one has a molecular weight of 335.15 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 175603032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).