2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one

C10H6Cl2IN3O — CID 135480649

IUPAC2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H6Cl2IN3O/c11-5-2-1-4(3-6(5)12)8-7(13)9(17)16-10(14)15-8/h1-3H,(H3,14,15,16,17)
InChIKeyWHIPVDKQSLVZDI-UHFFFAOYSA-N
MW381.99 g/mol
LogP2.93
Rot. Bonds1

About 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one

2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 135480649) has the molecular formula C10H6Cl2IN3O and a molecular weight of 381.99 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID135480649
Molecular FormulaC10H6Cl2IN3O
Molecular Weight381.99 g/mol
Exact Mass380.89
IUPAC Name2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(Cl)c(Cl)c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H6Cl2IN3O/c11-5-2-1-4(3-6(5)12)8-7(13)9(17)16-10(14)15-8/h1-3H,(H3,14,15,16,17)
InChIKeyWHIPVDKQSLVZDI-UHFFFAOYSA-N
XLogP2.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.99
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one (CID 135480649) is 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one is Nc1nc(-c2ccc(Cl)c(Cl)c2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WHIPVDKQSLVZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3O/c11-5-2-1-4(3-6(5)12)8-7(13)9(17)16-10(14)15-8/h1-3H,(H3,14,15,16,17).
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 381.99 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135480649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).