2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C10H9BrIN3S — CID 66306503

IUPAC2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)cs2)nc(C)c1I
InChIInChI=1S/C10H9BrIN3S/c1-5-8(12)10(13-2)15-9(14-5)7-3-6(11)4-16-7/h3-4H,1-2H3,(H,13,14,15)
InChIKeyNXAFYEXNKAPSQH-UHFFFAOYSA-N
MW410.08 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66306503) has the molecular formula C10H9BrIN3S and a molecular weight of 410.08 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66306503
Molecular FormulaC10H9BrIN3S
Molecular Weight410.08 g/mol
Exact Mass408.87
IUPAC Name2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)cs2)nc(C)c1I
InChIInChI=1S/C10H9BrIN3S/c1-5-8(12)10(13-2)15-9(14-5)7-3-6(11)4-16-7/h3-4H,1-2H3,(H,13,14,15)
InChIKeyNXAFYEXNKAPSQH-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.08
LogP ≤ 53.92
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-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 55194037
2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305711
2-(4-bromothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480516
2-(4-bromothiophen-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737697
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 63479339
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66295351
2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66306503) is 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(Br)cs2)nc(C)c1I.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NXAFYEXNKAPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrIN3S/c1-5-8(12)10(13-2)15-9(14-5)7-3-6(11)4-16-7/h3-4H,1-2H3,(H,13,14,15).
What are the key properties of 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 410.08 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66306503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).