4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine

C18H16Cl2N4OS — CID 129039669

IUPAC4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESC=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N(C)C
InChIInChI=1S/C18H16Cl2N4OS/c1-8(24(2)3)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19/h6-7H,1,4-5H2,2-3H3,(H2,21,22,23)
InChIKeyQVFWFMOHRKAYMO-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.71
Rot. Bonds3

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 129039669) has the molecular formula C18H16Cl2N4OS and a molecular weight of 407.33 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID129039669
Molecular FormulaC18H16Cl2N4OS
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine
SMILESC=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N(C)C
InChIInChI=1S/C18H16Cl2N4OS/c1-8(24(2)3)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19/h6-7H,1,4-5H2,2-3H3,(H2,21,22,23)
InChIKeyQVFWFMOHRKAYMO-UHFFFAOYSA-N
XLogP4.71
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine (CID 129039669) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine is C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N(C)C.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is QVFWFMOHRKAYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS/c1-8(24(2)3)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19/h6-7H,1,4-5H2,2-3H3,(H2,21,22,23).
What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine?
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 407.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(dimethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 129039669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).