2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C14H11N5S2 — CID 62209541

IUPAC2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2cccn2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C14H11N5S2/c15-13-12-9(10-3-1-6-20-10)8-21-14(12)18-11(17-13)7-19-5-2-4-16-19/h1-6,8H,7H2,(H2,15,17,18)
InChIKeyPVUWNTYSRJFEOG-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.25
Rot. Bonds3

About 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62209541) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62209541
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2cccn2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C14H11N5S2/c15-13-12-9(10-3-1-6-20-10)8-21-14(12)18-11(17-13)7-19-5-2-4-16-19/h1-6,8H,7H2,(H2,15,17,18)
InChIKeyPVUWNTYSRJFEOG-UHFFFAOYSA-N
XLogP3.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 62209541) is 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is Nc1nc(Cn2cccn2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PVUWNTYSRJFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c15-13-12-9(10-3-1-6-20-10)8-21-14(12)18-11(17-13)7-19-5-2-4-16-19/h1-6,8H,7H2,(H2,15,17,18).
What are the key properties of 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62209541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).