4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine

C12H10Br2ClIN2S — CID 102842723

IUPAC4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2cc(Br)c(Br)s2)nc(Cl)c1I
InChIInChI=1S/C12H10Br2ClIN2S/c1-5(2)3-7-9(16)11(15)18-12(17-7)8-4-6(13)10(14)19-8/h4-5H,3H2,1-2H3
InChIKeyHZINKTLWYXVNTM-UHFFFAOYSA-N
MW536.46 g/mol
LogP6.19
Rot. Bonds3

About 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine

4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine (PubChem CID 102842723) has the molecular formula C12H10Br2ClIN2S and a molecular weight of 536.46 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
PubChem CID102842723
Molecular FormulaC12H10Br2ClIN2S
Molecular Weight536.46 g/mol
Exact Mass533.77
IUPAC Name4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2cc(Br)c(Br)s2)nc(Cl)c1I
InChIInChI=1S/C12H10Br2ClIN2S/c1-5(2)3-7-9(16)11(15)18-12(17-7)8-4-6(13)10(14)19-8/h4-5H,3H2,1-2H3
InChIKeyHZINKTLWYXVNTM-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
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 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine (CID 102842723) is 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(-c2cc(Br)c(Br)s2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine?
The InChIKey is HZINKTLWYXVNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClIN2S/c1-5(2)3-7-9(16)11(15)18-12(17-7)8-4-6(13)10(14)19-8/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine?
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine has a molecular weight of 536.46 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 102842723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).