2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine

C20H17N3O2S — CID 75418773

IUPAC2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Oc2ccc(C)nc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H17N3O2S/c1-13-8-9-15(10-21-13)25-19-18-16(14-6-4-3-5-7-14)12-26-20(18)23-17(22-19)11-24-2/h3-10,12H,11H2,1-2H3
InChIKeyIHGYUYGRRCLIGP-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.00
Rot. Bonds5

About 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine

2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 75418773) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID75418773
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Oc2ccc(C)nc2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H17N3O2S/c1-13-8-9-15(10-21-13)25-19-18-16(14-6-4-3-5-7-14)12-26-20(18)23-17(22-19)11-24-2/h3-10,12H,11H2,1-2H3
InChIKeyIHGYUYGRRCLIGP-UHFFFAOYSA-N
XLogP5.00
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine (CID 75418773) is 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(Oc2ccc(C)nc2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is IHGYUYGRRCLIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-8-9-15(10-21-13)25-19-18-16(14-6-4-3-5-7-14)12-26-20(18)23-17(22-19)11-24-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine?
2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 363.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(6-methyl-3-pyridinyl)oxy]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 75418773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).