2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine

C11H8Cl2IN3 — CID 66295536

IUPAC2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cccc(Cl)c2Cl)nc(N)c1I
InChIInChI=1S/C11H8Cl2IN3/c1-5-9(14)10(15)17-11(16-5)6-3-2-4-7(12)8(6)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyULLYUTFSXCDJFO-UHFFFAOYSA-N
MW380.02 g/mol
LogP3.95
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine

2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66295536) has the molecular formula C11H8Cl2IN3 and a molecular weight of 380.02 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66295536
Molecular FormulaC11H8Cl2IN3
Molecular Weight380.02 g/mol
Exact Mass378.91
IUPAC Name2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2cccc(Cl)c2Cl)nc(N)c1I
InChIInChI=1S/C11H8Cl2IN3/c1-5-9(14)10(15)17-11(16-5)6-3-2-4-7(12)8(6)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyULLYUTFSXCDJFO-UHFFFAOYSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.02
LogP ≤ 53.95
H-Bond Donors ≤ 51
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-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine (CID 66295536) is 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine is Cc1nc(-c2cccc(Cl)c2Cl)nc(N)c1I.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is ULLYUTFSXCDJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2IN3/c1-5-9(14)10(15)17-11(16-5)6-3-2-4-7(12)8(6)13/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine?
2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 380.02 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66295536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).