4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine

C14H11ClN2OS — CID 83196658

IUPAC4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3O2)nc2c1CSC2
InChIInChI=1S/C14H11ClN2OS/c15-13-9-6-19-7-10(9)16-14(17-13)12-5-8-3-1-2-4-11(8)18-12/h1-4,12H,5-7H2
InChIKeyPERCMKMQMNLNQR-UHFFFAOYSA-N
MW290.77 g/mol
LogP3.55
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83196658) has the molecular formula C14H11ClN2OS and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83196658
Molecular FormulaC14H11ClN2OS
Molecular Weight290.77 g/mol
Exact Mass290.03
IUPAC Name4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2Cc3ccccc3O2)nc2c1CSC2
InChIInChI=1S/C14H11ClN2OS/c15-13-9-6-19-7-10(9)16-14(17-13)12-5-8-3-1-2-4-11(8)18-12/h1-4,12H,5-7H2
InChIKeyPERCMKMQMNLNQR-UHFFFAOYSA-N
XLogP3.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83196658) is 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(C2Cc3ccccc3O2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is PERCMKMQMNLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-13-9-6-19-7-10(9)16-14(17-13)12-5-8-3-1-2-4-11(8)18-12/h1-4,12H,5-7H2.
What are the key properties of 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 290.77 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1-benzofuran-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83196658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).