6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione

C13H14IN3O2 — CID 72696483

IUPAC6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCc2ccccc2)c(I)c(=O)n(C)c1=O
InChIInChI=1S/C13H14IN3O2/c1-16-11(10(14)12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3
InChIKeyHLJSTXAYKZPMHO-UHFFFAOYSA-N
MW371.18 g/mol
LogP1.30
Rot. Bonds3

About 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione

6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 72696483) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione
PubChem CID72696483
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCc2ccccc2)c(I)c(=O)n(C)c1=O
InChIInChI=1S/C13H14IN3O2/c1-16-11(10(14)12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3
InChIKeyHLJSTXAYKZPMHO-UHFFFAOYSA-N
XLogP1.30
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(benzylamino)-5-[(E)-methoxyiminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 142733469
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]propane-1-sulfonamide
CID 15990260
2-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 699817
4-(benzylamino)-3-iodo-1H-pyridin-2-one
CID 58053867
1,3-dimethyl-4-[[4-(3-methylphenyl)phenyl]methylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133307757
N-benzyl-3-methyl-2,4-dioxo-1-phenylpyrimidine-5-carboxamide
CID 14444896
5-amino-6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
CID 15665558
4-[2-[(S)-benzylsulfinyl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95620024
1,3-dimethyl-2,4-dioxo-6-[[2-(phenoxymethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 17462205
6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 71945914
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione (CID 72696483) is 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NCc2ccccc2)c(I)c(=O)n(C)c1=O.
What is the InChIKey of 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HLJSTXAYKZPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c1-16-11(10(14)12(18)17(2)13(16)19)15-8-9-6-4-3-5-7-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione?
6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 371.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 72696483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).