2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine

C14H12N2OS — CID 175578608

IUPAC2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
SMILESCc1nc(OCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C14H12N2OS/c1-10-15-13(12-7-8-18-14(12)16-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySLIXVRCGOWMWJJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.58
Rot. Bonds3

About 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine

2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine (PubChem CID 175578608) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
PubChem CID175578608
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
SMILESCc1nc(OCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C14H12N2OS/c1-10-15-13(12-7-8-18-14(12)16-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySLIXVRCGOWMWJJ-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine (CID 175578608) is 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine is Cc1nc(OCc2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The InChIKey is SLIXVRCGOWMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-10-15-13(12-7-8-18-14(12)16-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine has a molecular weight of 256.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 175578608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).