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

C10H10BrN3S — CID 62203363

IUPAC2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Br)s2)nc(N)c1C
InChIInChI=1S/C10H10BrN3S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyBBMMIPQHHQBTQH-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.17
Rot. Bonds1

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

2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 62203363) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine
PubChem CID62203363
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Br)s2)nc(N)c1C
InChIInChI=1S/C10H10BrN3S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3,(H2,12,13,14)
InChIKeyBBMMIPQHHQBTQH-UHFFFAOYSA-N
XLogP3.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine (CID 62203363) is 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine is Cc1nc(-c2ccc(Br)s2)nc(N)c1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is BBMMIPQHHQBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-5-6(2)13-10(14-9(5)12)7-3-4-8(11)15-7/h3-4H,1-2H3,(H2,12,13,14).
What are the key properties of 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine?
2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 284.18 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62203363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).