7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine

C15H16BrN5OS — CID 166241644

IUPAC7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCn1nccc1C1CC(Nc2ncc3scc(Br)c3n2)CCO1
InChIInChI=1S/C15H16BrN5OS/c1-21-11(2-4-18-21)12-6-9(3-5-22-12)19-15-17-7-13-14(20-15)10(16)8-23-13/h2,4,7-9,12H,3,5-6H2,1H3,(H,17,19,20)
InChIKeySSJWJGQUGPAMQQ-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.52
Rot. Bonds3

About 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 166241644) has the molecular formula C15H16BrN5OS and a molecular weight of 394.30 g/mol. Its IUPAC name is 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID166241644
Molecular FormulaC15H16BrN5OS
Molecular Weight394.30 g/mol
Exact Mass393.03
IUPAC Name7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCn1nccc1C1CC(Nc2ncc3scc(Br)c3n2)CCO1
InChIInChI=1S/C15H16BrN5OS/c1-21-11(2-4-18-21)12-6-9(3-5-22-12)19-15-17-7-13-14(20-15)10(16)8-23-13/h2,4,7-9,12H,3,5-6H2,1H3,(H,17,19,20)
InChIKeySSJWJGQUGPAMQQ-UHFFFAOYSA-N
XLogP3.52
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 166241644) is 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine is Cn1nccc1C1CC(Nc2ncc3scc(Br)c3n2)CCO1.
What is the InChIKey of 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is SSJWJGQUGPAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5OS/c1-21-11(2-4-18-21)12-6-9(3-5-22-12)19-15-17-7-13-14(20-15)10(16)8-23-13/h2,4,7-9,12H,3,5-6H2,1H3,(H,17,19,20).
What are the key properties of 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 394.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166241644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).