4-ethynyl-6-phenylthieno[2,3-d]pyrimidine

C14H8N2S — CID 138991656

IUPAC4-ethynyl-6-phenylthieno[2,3-d]pyrimidine
SMILESC#Cc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H8N2S/c1-2-12-11-8-13(10-6-4-3-5-7-10)17-14(11)16-9-15-12/h1,3-9H
InChIKeyBIKLOQPBWIEBIA-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.34
Rot. Bonds1

About 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine

4-ethynyl-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 138991656) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethynyl-6-phenylthieno[2,3-d]pyrimidine
PubChem CID138991656
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Name4-ethynyl-6-phenylthieno[2,3-d]pyrimidine
SMILESC#Cc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C14H8N2S/c1-2-12-11-8-13(10-6-4-3-5-7-10)17-14(11)16-9-15-12/h1,3-9H
InChIKeyBIKLOQPBWIEBIA-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
CID 2408628
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
N-methoxy-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9107019
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 7674140
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558288
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 18137836
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine (CID 138991656) is 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine is C#Cc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is BIKLOQPBWIEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c1-2-12-11-8-13(10-6-4-3-5-7-10)17-14(11)16-9-15-12/h1,3-9H.
What are the key properties of 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine?
4-ethynyl-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 236.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 138991656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).