2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one

C10H8IN3O — CID 135410914

IUPAC2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H8IN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKeyJBQRDRKWCBEQKP-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one

2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135410914) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one
PubChem CID135410914
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H8IN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKeyJBQRDRKWCBEQKP-UHFFFAOYSA-N
XLogP1.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bropirimine
CID 135413497
2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-(methylthio)-6-phenylpyrimidin-4(3H)-one
CID 135408535
6-Phenylpyrimidin-4-ol
CID 135418832
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
3-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)benzonitrile
CID 135581560
3-amino-9-iodo-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838199
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one (CID 135410914) is 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JBQRDRKWCBEQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one?
2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 313.10 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135410914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).