8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

C14H16BrN5S — CID 80823918

IUPAC8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C14H16BrN5S/c1-2-5-16-12-9-20-7-6-17-14(20)13(19-12)18-8-10-3-4-11(15)21-10/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,18,19)
InChIKeyOHNQCHBIAYFLQN-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.99
Rot. Bonds6

About 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80823918) has the molecular formula C14H16BrN5S and a molecular weight of 366.29 g/mol. Its IUPAC name is 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80823918
Molecular FormulaC14H16BrN5S
Molecular Weight366.29 g/mol
Exact Mass365.03
IUPAC Name8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCNc1cn2ccnc2c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C14H16BrN5S/c1-2-5-16-12-9-20-7-6-17-14(20)13(19-12)18-8-10-3-4-11(15)21-10/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,18,19)
InChIKeyOHNQCHBIAYFLQN-UHFFFAOYSA-N
XLogP3.99
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80838502
8-N-[(1-methylpyrazol-4-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80795251
8-N-(4-methylphenyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80751543
2-methyl-1-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80842987
8-N-(2-propan-2-yloxyethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 104767136
8-N-(2-methylpentan-3-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80802760
N-[2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]acetamide
CID 80788012
N-ethyl-2-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80787809
2,2-dimethyl-3-[[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanamide
CID 106280633
8-N-(oxolan-3-ylmethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80825476
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80772084

Frequently Asked Questions

What is the IUPAC name of 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80823918) is 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is CCCNc1cn2ccnc2c(NCc2ccc(Br)s2)n1.
What is the InChIKey of 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is OHNQCHBIAYFLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5S/c1-2-5-16-12-9-20-7-6-17-14(20)13(19-12)18-8-10-3-4-11(15)21-10/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,18,19).
What are the key properties of 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 366.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(5-bromothiophen-2-yl)methyl]-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).