5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine

C16H13N5S — CID 703891

IUPAC5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C16H13N5S/c1-10-7-13(17)21(20-10)15-14-12(11-5-3-2-4-6-11)8-22-16(14)19-9-18-15/h2-9H,17H2,1H3
InChIKeyYUECWURVGYNHGF-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.43
Rot. Bonds2

About 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine

5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine (PubChem CID 703891) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine
PubChem CID703891
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2ncnc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C16H13N5S/c1-10-7-13(17)21(20-10)15-14-12(11-5-3-2-4-6-11)8-22-16(14)19-9-18-15/h2-9H,17H2,1H3
InChIKeyYUECWURVGYNHGF-UHFFFAOYSA-N
XLogP3.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine (CID 703891) is 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine is Cc1cc(N)n(-c2ncnc3scc(-c4ccccc4)c23)n1.
What is the InChIKey of 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine?
The InChIKey is YUECWURVGYNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-10-7-13(17)21(20-10)15-14-12(11-5-3-2-4-6-11)8-22-16(14)19-9-18-15/h2-9H,17H2,1H3.
What are the key properties of 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine?
5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine has a molecular weight of 307.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 703891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).