2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

C12H13BrIN3S — CID 115381240

IUPAC2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)Cc1nc(-c2sccc2Br)nc(N)c1I
InChIInChI=1S/C12H13BrIN3S/c1-6(2)5-8-9(14)11(15)17-12(16-8)10-7(13)3-4-18-10/h3-4,6H,5H2,1-2H3,(H2,15,16,17)
InChIKeyPKBPLGJHSRJRND-UHFFFAOYSA-N
MW438.13 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 115381240) has the molecular formula C12H13BrIN3S and a molecular weight of 438.13 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID115381240
Molecular FormulaC12H13BrIN3S
Molecular Weight438.13 g/mol
Exact Mass436.91
IUPAC Name2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCC(C)Cc1nc(-c2sccc2Br)nc(N)c1I
InChIInChI=1S/C12H13BrIN3S/c1-6(2)5-8-9(14)11(15)17-12(16-8)10-7(13)3-4-18-10/h3-4,6H,5H2,1-2H3,(H2,15,16,17)
InChIKeyPKBPLGJHSRJRND-UHFFFAOYSA-N
XLogP4.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.13
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 105410505
2-(3-bromothiophen-2-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 115381177
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107924043

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (CID 115381240) is 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is CC(C)Cc1nc(-c2sccc2Br)nc(N)c1I.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is PKBPLGJHSRJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrIN3S/c1-6(2)5-8-9(14)11(15)17-12(16-8)10-7(13)3-4-18-10/h3-4,6H,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 438.13 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115381240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).