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

C15H13ClN2OS — CID 83192423

IUPAC4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2COc3ccccc3C2)nc2c1CSC2
InChIInChI=1S/C15H13ClN2OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-9-3-1-2-4-13(9)19-6-10/h1-4,10H,5-8H2
InChIKeySZVRGAVXTPKNCL-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.60
Rot. Bonds1

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

4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83192423) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83192423
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2COc3ccccc3C2)nc2c1CSC2
InChIInChI=1S/C15H13ClN2OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-9-3-1-2-4-13(9)19-6-10/h1-4,10H,5-8H2
InChIKeySZVRGAVXTPKNCL-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83192423) is 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(C2COc3ccccc3C2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is SZVRGAVXTPKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-14-11-7-20-8-12(11)17-15(18-14)10-5-9-3-1-2-4-13(9)19-6-10/h1-4,10H,5-8H2.
What are the key properties of 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83192423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).