4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine

C15H13ClN2S — CID 83190358

IUPAC4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(-c2ccc(C3CC3)cc2)nc2c1CSC2
InChIInChI=1S/C15H13ClN2S/c16-14-12-7-19-8-13(12)17-15(18-14)11-5-3-10(4-6-11)9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyGAMLRISVPAUHMC-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.42
Rot. Bonds2

About 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83190358) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83190358
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(-c2ccc(C3CC3)cc2)nc2c1CSC2
InChIInChI=1S/C15H13ClN2S/c16-14-12-7-19-8-13(12)17-15(18-14)11-5-3-10(4-6-11)9-1-2-9/h3-6,9H,1-2,7-8H2
InChIKeyGAMLRISVPAUHMC-UHFFFAOYSA-N
XLogP4.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83190358) is 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(-c2ccc(C3CC3)cc2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is GAMLRISVPAUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-14-12-7-19-8-13(12)17-15(18-14)11-5-3-10(4-6-11)9-1-2-9/h3-6,9H,1-2,7-8H2.
What are the key properties of 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclopropylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83190358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).