6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione

C19H16N2O3S — CID 13491001

IUPAC6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione
SMILESCOc1cc(OC)c2c(c1)OC1=NC(c3ccccc3)NC(=S)C1=C2
InChIInChI=1S/C19H16N2O3S/c1-22-12-8-15(23-2)13-10-14-18(24-16(13)9-12)20-17(21-19(14)25)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,21,25)
InChIKeyYEAGQUTVCDUSSL-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.51
Rot. Bonds3

About 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione

6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione (PubChem CID 13491001) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione
PubChem CID13491001
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione
SMILESCOc1cc(OC)c2c(c1)OC1=NC(c3ccccc3)NC(=S)C1=C2
InChIInChI=1S/C19H16N2O3S/c1-22-12-8-15(23-2)13-10-14-18(24-16(13)9-12)20-17(21-19(14)25)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,21,25)
InChIKeyYEAGQUTVCDUSSL-UHFFFAOYSA-N
XLogP3.51
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione?
The IUPAC name of 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione (CID 13491001) is 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione.
What is the SMILES notation for 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione?
The canonical SMILES for 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione is COc1cc(OC)c2c(c1)OC1=NC(c3ccccc3)NC(=S)C1=C2.
What is the InChIKey of 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione?
The InChIKey is YEAGQUTVCDUSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-22-12-8-15(23-2)13-10-14-18(24-16(13)9-12)20-17(21-19(14)25)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,21,25).
What are the key properties of 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione?
6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione has a molecular weight of 352.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidine-4-thione is sourced from PubChem (CID 13491001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).