2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine

C20H17N3S — CID 123804426

IUPAC2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine
SMILESCCc1nc(Cc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H17N3S/c1-2-18-22-17(12-15-10-6-7-11-21-15)19-16(13-24-20(19)23-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyNWPYNQMUMCQYDY-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.91
Rot. Bonds4

About 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine

2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine (PubChem CID 123804426) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine
PubChem CID123804426
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine
SMILESCCc1nc(Cc2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H17N3S/c1-2-18-22-17(12-15-10-6-7-11-21-15)19-16(13-24-20(19)23-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
InChIKeyNWPYNQMUMCQYDY-UHFFFAOYSA-N
XLogP4.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine (CID 123804426) is 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine is CCc1nc(Cc2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine?
The InChIKey is NWPYNQMUMCQYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-2-18-22-17(12-15-10-6-7-11-21-15)19-16(13-24-20(19)23-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3.
What are the key properties of 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine?
2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine has a molecular weight of 331.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenyl-4-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 123804426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).