4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine

C18H18N2O2S — CID 18267648

IUPAC4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3cccc4c3OC(C)(C)C4)c2c1C
InChIInChI=1S/C18H18N2O2S/c1-10-11(2)23-17-14(10)16(19-9-20-17)21-13-7-5-6-12-8-18(3,4)22-15(12)13/h5-7,9H,8H2,1-4H3
InChIKeyLJZXYFQKLJNVPC-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.81
Rot. Bonds2

About 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 18267648) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID18267648
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3cccc4c3OC(C)(C)C4)c2c1C
InChIInChI=1S/C18H18N2O2S/c1-10-11(2)23-17-14(10)16(19-9-20-17)21-13-7-5-6-12-8-18(3,4)22-15(12)13/h5-7,9H,8H2,1-4H3
InChIKeyLJZXYFQKLJNVPC-UHFFFAOYSA-N
XLogP4.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
5-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine
CID 66234792
5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
CID 61227523
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80865011
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
CID 29273095
1-[6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62297979
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 18267648) is 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(Oc3cccc4c3OC(C)(C)C4)c2c1C.
What is the InChIKey of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is LJZXYFQKLJNVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10-11(2)23-17-14(10)16(19-9-20-17)21-13-7-5-6-12-8-18(3,4)22-15(12)13/h5-7,9H,8H2,1-4H3.
What are the key properties of 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 326.42 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 18267648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).