7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

C16H19BrN6S — CID 135252350

IUPAC7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESBrc1csc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12
InChIInChI=1S/C16H19BrN6S/c17-13-11-24-14-9-18-16(21-15(13)14)20-12-8-19-23(10-12)7-3-6-22-4-1-2-5-22/h8-11H,1-7H2,(H,18,20,21)
InChIKeyKSCZTXFFRCWOAD-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.88
Rot. Bonds6

About 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 135252350) has the molecular formula C16H19BrN6S and a molecular weight of 407.34 g/mol. Its IUPAC name is 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID135252350
Molecular FormulaC16H19BrN6S
Molecular Weight407.34 g/mol
Exact Mass406.06
IUPAC Name7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESBrc1csc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12
InChIInChI=1S/C16H19BrN6S/c17-13-11-24-14-9-18-16(21-15(13)14)20-12-8-19-23(10-12)7-3-6-22-4-1-2-5-22/h8-11H,1-7H2,(H,18,20,21)
InChIKeyKSCZTXFFRCWOAD-UHFFFAOYSA-N
XLogP3.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 135252350) is 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is Brc1csc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12.
What is the InChIKey of 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is KSCZTXFFRCWOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6S/c17-13-11-24-14-9-18-16(21-15(13)14)20-12-8-19-23(10-12)7-3-6-22-4-1-2-5-22/h8-11H,1-7H2,(H,18,20,21).
What are the key properties of 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 407.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 135252350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).