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

C11H10IN3O — CID 135480619

IUPAC2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H10IN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16)
InChIKeyVIFDGPJTWOTQOB-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.55
Rot. Bonds2

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

2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 135480619) has the molecular formula C11H10IN3O and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one
PubChem CID135480619
Molecular FormulaC11H10IN3O
Molecular Weight327.13 g/mol
Exact Mass326.99
IUPAC Name2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(Cc2ccccc2)c(I)c(=O)[nH]1
InChIInChI=1S/C11H10IN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16)
InChIKeyVIFDGPJTWOTQOB-UHFFFAOYSA-N
XLogP1.55
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.55
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
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
4(1H)-Pyrimidinone, 2-amino-5-chloro-6-phenyl-
CID 135480622
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
6-Benzyl-5-methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402815
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
2-Amino-6-benzyl-3,7-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136055837
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
4-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
CID 135434837
2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one (CID 135480619) is 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one is Nc1nc(Cc2ccccc2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VIFDGPJTWOTQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c12-9-8(14-11(13)15-10(9)16)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16).
What are the key properties of 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one?
2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 327.13 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135480619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).