4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine

C18H18N2S — CID 24747734

IUPAC4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(C3CCCCC3)c3sccc3n2)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-17-15(11-12-21-17)19-18(20-16)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2
InChIKeyKCVWDDMXXRBPRL-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.41
Rot. Bonds2

About 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine

4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine (PubChem CID 24747734) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine
PubChem CID24747734
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(C3CCCCC3)c3sccc3n2)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-17-15(11-12-21-17)19-18(20-16)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2
InChIKeyKCVWDDMXXRBPRL-UHFFFAOYSA-N
XLogP5.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine (CID 24747734) is 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine is c1ccc(-c2nc(C3CCCCC3)c3sccc3n2)cc1.
What is the InChIKey of 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine?
The InChIKey is KCVWDDMXXRBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-17-15(11-12-21-17)19-18(20-16)14-9-5-2-6-10-14/h2,5-6,9-13H,1,3-4,7-8H2.
What are the key properties of 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine?
4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine has a molecular weight of 294.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-phenylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 24747734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).