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

C20H18Cl2N4OS — CID 129039863

IUPAC4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESC=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCCC1
InChIInChI=1S/C20H18Cl2N4OS/c1-10(26-5-2-3-6-26)15-8-12-17(24-20(23)25-19(12)28-15)16-11-4-7-27-18(11)14(22)9-13(16)21/h8-9H,1-7H2,(H2,23,24,25)
InChIKeyWJQMRJFAUFVUSY-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.25
Rot. Bonds3

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

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 129039863) has the molecular formula C20H18Cl2N4OS and a molecular weight of 433.36 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID129039863
Molecular FormulaC20H18Cl2N4OS
Molecular Weight433.36 g/mol
Exact Mass432.06
IUPAC Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESC=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCCC1
InChIInChI=1S/C20H18Cl2N4OS/c1-10(26-5-2-3-6-26)15-8-12-17(24-20(23)25-19(12)28-15)16-11-4-7-27-18(11)14(22)9-13(16)21/h8-9H,1-7H2,(H2,23,24,25)
InChIKeyWJQMRJFAUFVUSY-UHFFFAOYSA-N
XLogP5.25
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
CID 159035431
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 118587713
2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine
CID 161039920
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5,6-diethylpyrimidin-2-amine
CID 144978818
6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine
CID 118587748
2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 141177234
2-amino-4-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519348
2-amino-4-[2,4-dichloro-5-(oxolan-2-ylmethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 59519270
ethyl 2-amino-4-(2,4-dichloro-6-phenylmethoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 167053836
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519323
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
2-amino-4-(2,6-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359320

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine (CID 129039863) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)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-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine is C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCCC1.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WJQMRJFAUFVUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4OS/c1-10(26-5-2-3-6-26)15-8-12-17(24-20(23)25-19(12)28-15)16-11-4-7-27-18(11)14(22)9-13(16)21/h8-9H,1-7H2,(H2,23,24,25).
What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine?
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 433.36 g/mol, XLogP of 5.25, 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-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 129039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).