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

C15H15ClN2S — CID 83195820

IUPAC4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC(C)(c1ccccc1)c1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C15H15ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12-9-19-8-11(12)13(16)18-14/h3-7H,8-9H2,1-2H3
InChIKeyIIHBVXVHFOBLGN-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.20
Rot. Bonds2

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

4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83195820) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83195820
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC Name4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC(C)(c1ccccc1)c1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C15H15ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12-9-19-8-11(12)13(16)18-14/h3-7H,8-9H2,1-2H3
InChIKeyIIHBVXVHFOBLGN-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83195820) is 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is CC(C)(c1ccccc1)c1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is IIHBVXVHFOBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12-9-19-8-11(12)13(16)18-14/h3-7H,8-9H2,1-2H3.
What are the key properties of 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 290.82 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83195820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).