5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine

C11H11Br2N3S — CID 66307530

IUPAC5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Br)s2)nc(N)c1Br
InChIInChI=1S/C11H11Br2N3S/c1-2-3-6-9(13)10(14)16-11(15-6)7-4-5-8(12)17-7/h4-5H,2-3H2,1H3,(H2,14,15,16)
InChIKeyAQNKEHYBPJJCCF-UHFFFAOYSA-N
MW377.11 g/mol
LogP4.26
Rot. Bonds3

About 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 66307530) has the molecular formula C11H11Br2N3S and a molecular weight of 377.11 g/mol. Its IUPAC name is 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
PubChem CID66307530
Molecular FormulaC11H11Br2N3S
Molecular Weight377.11 g/mol
Exact Mass374.90
IUPAC Name5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Br)s2)nc(N)c1Br
InChIInChI=1S/C11H11Br2N3S/c1-2-3-6-9(13)10(14)16-11(15-6)7-4-5-8(12)17-7/h4-5H,2-3H2,1H3,(H2,14,15,16)
InChIKeyAQNKEHYBPJJCCF-UHFFFAOYSA-N
XLogP4.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.11
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine (CID 66307530) is 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(Br)s2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is AQNKEHYBPJJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3S/c1-2-3-6-9(13)10(14)16-11(15-6)7-4-5-8(12)17-7/h4-5H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 377.11 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).