2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

C14H14Cl2IN3 — CID 66296605

IUPAC2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2Cl)nc(C(C)C)c1I
InChIInChI=1S/C14H14Cl2IN3/c1-7(2)12-11(17)14(18-3)20-13(19-12)10-8(15)5-4-6-9(10)16/h4-7H,1-3H3,(H,18,19,20)
InChIKeyVVQRWPSCAFTYPM-UHFFFAOYSA-N
MW422.10 g/mol
LogP5.22
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine

2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66296605) has the molecular formula C14H14Cl2IN3 and a molecular weight of 422.10 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66296605
Molecular FormulaC14H14Cl2IN3
Molecular Weight422.10 g/mol
Exact Mass420.96
IUPAC Name2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2Cl)nc(C(C)C)c1I
InChIInChI=1S/C14H14Cl2IN3/c1-7(2)12-11(17)14(18-3)20-13(19-12)10-8(15)5-4-6-9(10)16/h4-7H,1-3H3,(H,18,19,20)
InChIKeyVVQRWPSCAFTYPM-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.10
LogP ≤ 55.22
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-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66296605) is 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2c(Cl)cccc2Cl)nc(C(C)C)c1I.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VVQRWPSCAFTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2IN3/c1-7(2)12-11(17)14(18-3)20-13(19-12)10-8(15)5-4-6-9(10)16/h4-7H,1-3H3,(H,18,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 422.10 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66296605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).