2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine

C18H13N3OS — CID 40710056

IUPAC2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H13N3OS/c1-12-20-17(22-14-8-5-9-19-10-14)16-15(11-23-18(16)21-12)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyKKUZPAFNDBJPNN-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.85
Rot. Bonds3

About 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine

2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine (PubChem CID 40710056) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
PubChem CID40710056
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
SMILESCc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H13N3OS/c1-12-20-17(22-14-8-5-9-19-10-14)16-15(11-23-18(16)21-12)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyKKUZPAFNDBJPNN-UHFFFAOYSA-N
XLogP4.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-phenoxythieno[2,3-d]pyrimidine
CID 69020703
2-methyl-4-(4-phenoxyphenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 4849108
2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
CID 75418773
4-methoxy-3-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
CID 9311006
4-[(2-nitro-3-pyridinyl)oxy]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 26451845
2-methyl-5-phenyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 18287796
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
N,N-dimethyl-1-(5-phenyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133406632
4-[(2-bromo-3-pyridinyl)oxy]-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133279160
1-[4-[(2-bromo-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279161
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 99802723
4-[5-(3-methoxyphenyl)tetrazol-2-yl]-2-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 9109383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine (CID 40710056) is 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine is Cc1nc(Oc2cccnc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine?
The InChIKey is KKUZPAFNDBJPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-20-17(22-14-8-5-9-19-10-14)16-15(11-23-18(16)21-12)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine?
2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine has a molecular weight of 319.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 40710056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).