6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione

C16H20IN3O3 — CID 10387903

IUPAC6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCOCCCCn1c(=O)cc(Nc2ccc(C)c(I)c2)[nH]c1=O
InChIInChI=1S/C16H20IN3O3/c1-11-5-6-12(9-13(11)17)18-14-10-15(21)20(16(22)19-14)7-3-4-8-23-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyHIZXOBHUPWSQDK-UHFFFAOYSA-N
MW429.26 g/mol
LogP2.62
Rot. Bonds7

About 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione

6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (PubChem CID 10387903) has the molecular formula C16H20IN3O3 and a molecular weight of 429.26 g/mol. Its IUPAC name is 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
PubChem CID10387903
Molecular FormulaC16H20IN3O3
Molecular Weight429.26 g/mol
Exact Mass429.05
IUPAC Name6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione
SMILESCOCCCCn1c(=O)cc(Nc2ccc(C)c(I)c2)[nH]c1=O
InChIInChI=1S/C16H20IN3O3/c1-11-5-6-12(9-13(11)17)18-14-10-15(21)20(16(22)19-14)7-3-4-8-23-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyHIZXOBHUPWSQDK-UHFFFAOYSA-N
XLogP2.62
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1,1-Dibutyl-3-(P-tolyl)urea
CID 4985948
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
3-(4-Methoxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10088093
3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
CID 10107347
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-morpholin-4-yl-propyl)-1H-pyrimidine-2,4-dione
CID 10150380
6-(3-Ethyl-4-methyl-phenylamino)-3-(4-morpholin-4-yl-butyl)-1H-pyrimidine-2,4-dione
CID 10151095
5-[4-(3-Ethyl-4-methyl-phenylamino)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-pentanenitrile
CID 10172017

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione (CID 10387903) is 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is COCCCCn1c(=O)cc(Nc2ccc(C)c(I)c2)[nH]c1=O.
What is the InChIKey of 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HIZXOBHUPWSQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O3/c1-11-5-6-12(9-13(11)17)18-14-10-15(21)20(16(22)19-14)7-3-4-8-23-2/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione?
6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 429.26 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodo-4-methylanilino)-3-(4-methoxybutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10387903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).