6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine

C14H14Cl2IN3 — CID 66295197

IUPAC6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cccc(Cl)c2Cl)nc(N)c1I
InChIInChI=1S/C14H14Cl2IN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)7-5-4-6-8(15)9(7)16/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyFCPFANKHSQJNEK-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.93
Rot. Bonds1

About 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine

6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66295197) has the molecular formula C14H14Cl2IN3 and a molecular weight of 422.10 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66295197
Molecular FormulaC14H14Cl2IN3
Molecular Weight422.10 g/mol
Exact Mass420.96
IUPAC Name6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2cccc(Cl)c2Cl)nc(N)c1I
InChIInChI=1S/C14H14Cl2IN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)7-5-4-6-8(15)9(7)16/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyFCPFANKHSQJNEK-UHFFFAOYSA-N
XLogP4.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.93
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 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine (CID 66295197) is 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is CC(C)(C)c1nc(-c2cccc(Cl)c2Cl)nc(N)c1I.
What is the InChIKey of 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is FCPFANKHSQJNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2IN3/c1-14(2,3)11-10(17)12(18)20-13(19-11)7-5-4-6-8(15)9(7)16/h4-6H,1-3H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine?
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 422.10 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66295197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).