7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one

C17H12N2O3S — CID 716536

IUPAC7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one
SMILESCc1sc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2c1C
InChIInChI=1S/C17H12N2O3S/c1-9-10(2)23-17-15(9)16(18-8-19-17)21-12-5-3-11-4-6-14(20)22-13(11)7-12/h3-8H,1-2H3
InChIKeyVVAJKZGLRIETIQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.21
Rot. Bonds2

About 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one

7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one (PubChem CID 716536) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one.

Molecular Properties

Compound Name7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one
PubChem CID716536
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one
SMILESCc1sc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2c1C
InChIInChI=1S/C17H12N2O3S/c1-9-10(2)23-17-15(9)16(18-8-19-17)21-12-5-3-11-4-6-14(20)22-13(11)7-12/h3-8H,1-2H3
InChIKeyVVAJKZGLRIETIQ-UHFFFAOYSA-N
XLogP4.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one
CID 3788398
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
MRGPRX1 agonist 2
CID 719971
MRGPRX1 agonist 3
CID 9212907
4-Methyl-7-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxychromen-2-one
CID 3934783
3-[5-(4-Ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid
CID 51351528
5,6-Dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
5,6-Dimethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 623061
4-(2-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710974
3-(4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-7-methoxy-2H-chromen-2-one
CID 15988454
7-[(2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)oxy]-2H-chromen-2-one
CID 1047824
6-Methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl 2-naphthyl ether
CID 2132400

Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one?
The IUPAC name of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one (CID 716536) is 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one.
What is the SMILES notation for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one?
The canonical SMILES for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one is Cc1sc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2c1C.
What is the InChIKey of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one?
The InChIKey is VVAJKZGLRIETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-9-10(2)23-17-15(9)16(18-8-19-17)21-12-5-3-11-4-6-14(20)22-13(11)7-12/h3-8H,1-2H3.
What are the key properties of 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one?
7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one has a molecular weight of 324.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxychromen-2-one is sourced from PubChem (CID 716536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).