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

C10H6Cl2IN3O — CID 135480646

IUPAC2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(Cl)cc(Cl)c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H6Cl2IN3O/c11-5-1-4(2-6(12)3-5)8-7(13)9(17)16-10(14)15-8/h1-3H,(H3,14,15,16,17)
InChIKeyQXOMUWHOYUICFL-UHFFFAOYSA-N
MW381.99 g/mol
LogP2.93
Rot. Bonds1

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

2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 135480646) has the molecular formula C10H6Cl2IN3O and a molecular weight of 381.99 g/mol. Its IUPAC name is 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID135480646
Molecular FormulaC10H6Cl2IN3O
Molecular Weight381.99 g/mol
Exact Mass380.89
IUPAC Name2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
SMILESNc1nc(-c2cc(Cl)cc(Cl)c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H6Cl2IN3O/c11-5-1-4(2-6(12)3-5)8-7(13)9(17)16-10(14)15-8/h1-3H,(H3,14,15,16,17)
InChIKeyQXOMUWHOYUICFL-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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Related Compounds

2-Amino-5-iodo-6-phenyl-4-pyrimidinone
CID 135410914
4(3H)-Pyrimidinone, 2-amino-5-chloro-6-(2-chlorophenyl)-
CID 135435113
2-Amino-5-chloro-6-(3-chlorophenyl)-4(3H)-pyrimidinone
CID 135480630
2-Amino-5-bromo-6-(m-chlorophenyl)-4-pyrimidinol
CID 135480631
2-Amino-6-(3-chlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480632
2-Amino-6-(2,5-dichlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480644
2-Amino-5-bromo-6-(3,4-dichlorophenyl)-4(3H)-pyrimidinone
CID 135480648
2-Amino-6-(3,4-dichlorophenyl)-5-iodo-4(3H)-pyrimidinone
CID 135480649
4(3H)-Pyrimidinone, 2-amino-5-bromo-6-(2-chlorophenyl)-
CID 135435114
4(3H)-Pyrimidinone, 2-amino-6-(2-chlorophenyl)-5-iodo-
CID 135435115
4(3H)-Pyrimidinone, 2-amino-5-chloro-6-(3-iodophenyl)-
CID 135435123
2-amino-5-iodo-4-(3-iodophenyl)-1H-pyrimidin-6-one
CID 135435125

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one (CID 135480646) is 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one is Nc1nc(-c2cc(Cl)cc(Cl)c2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QXOMUWHOYUICFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2IN3O/c11-5-1-4(2-6(12)3-5)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-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one?
2-amino-4-(3,5-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-(3,5-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 135480646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).