7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine

C15H15BrN4S — CID 147242835

IUPAC7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIInChI=1S/C15H15BrN4S/c1-2-3-6-18-15-13-12(11(16)9-21-13)19-14(20-15)10-4-7-17-8-5-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19,20)
InChIKeyCLCNRQNJHILFHO-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.73
Rot. Bonds5

About 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine

7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 147242835) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID147242835
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(-c2ccncc2)nc2c(Br)csc12
InChIInChI=1S/C15H15BrN4S/c1-2-3-6-18-15-13-12(11(16)9-21-13)19-14(20-15)10-4-7-17-8-5-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19,20)
InChIKeyCLCNRQNJHILFHO-UHFFFAOYSA-N
XLogP4.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine (CID 147242835) is 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine is CCCCNc1nc(-c2ccncc2)nc2c(Br)csc12.
What is the InChIKey of 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CLCNRQNJHILFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-2-3-6-18-15-13-12(11(16)9-21-13)19-14(20-15)10-4-7-17-8-5-10/h4-5,7-9H,2-3,6H2,1H3,(H,18,19,20).
What are the key properties of 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine?
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 363.28 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 147242835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).