8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine

C19H16N2O2S — CID 122193532

IUPAC8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1
InChIInChI=1S/C19H16N2O2S/c1-22-14-5-3-12(4-6-14)19-20-10-13-11-24-17-9-15(23-2)7-8-16(17)18(13)21-19/h3-10H,11H2,1-2H3
InChIKeyISCPOGHOLMNWMD-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.43
Rot. Bonds3

About 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine

8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine (PubChem CID 122193532) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine
PubChem CID122193532
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1
InChIInChI=1S/C19H16N2O2S/c1-22-14-5-3-12(4-6-14)19-20-10-13-11-24-17-9-15(23-2)7-8-16(17)18(13)21-19/h3-10H,11H2,1-2H3
InChIKeyISCPOGHOLMNWMD-UHFFFAOYSA-N
XLogP4.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine?
The IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine (CID 122193532) is 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine.
What is the SMILES notation for 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine?
The canonical SMILES for 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine is COc1ccc(-c2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1.
What is the InChIKey of 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine?
The InChIKey is ISCPOGHOLMNWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-22-14-5-3-12(4-6-14)19-20-10-13-11-24-17-9-15(23-2)7-8-16(17)18(13)21-19/h3-10H,11H2,1-2H3.
What are the key properties of 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine?
8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine has a molecular weight of 336.42 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(4-methoxyphenyl)-5H-thiochromeno[4,3-d]pyrimidine is sourced from PubChem (CID 122193532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).