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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
N,N-dimethyl-1-(5-phenyl-4-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 141105825
2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 141105809
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68622626
5-phenyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-2-carbonitrile
CID 67382151
5-phenyl-N-(pyridin-2-ylmethyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68623687
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9280016
2-benzyl-4-chloro-5-phenylthieno[2,3-d]pyrimidine
CID 12824912
2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 79412130
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 67382340
2-[2-(dimethylamino)ethoxy]-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 68622417
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387

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).