4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine

C15H13ClN2S — CID 63084498

IUPAC4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC(C)(c1ccccc1)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C15H13ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12(16)11-8-9-19-13(11)18-14/h3-9H,1-2H3
InChIKeyHGLCDLFRYASLMW-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine

4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine (PubChem CID 63084498) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
PubChem CID63084498
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine
SMILESCC(C)(c1ccccc1)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C15H13ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12(16)11-8-9-19-13(11)18-14/h3-9H,1-2H3
InChIKeyHGLCDLFRYASLMW-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 63086412
4-chloro-2-(2-ethoxypropan-2-yl)thieno[2,3-d]pyrimidine
CID 116701236
4-chloro-2-(2-phenylpropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83195820
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
4-chloro-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309306
4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
CID 114754484
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
CID 62717082
4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 172833206
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
CID 116701232
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
CID 55181045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine (CID 63084498) is 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine is CC(C)(c1ccccc1)c1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine?
The InChIKey is HGLCDLFRYASLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-15(2,10-6-4-3-5-7-10)14-17-12(16)11-8-9-19-13(11)18-14/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine?
4-chloro-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.67, 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)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 63084498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).