2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine

C18H18N2S — CID 91460341

IUPAC2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3nc(C4CCCCC4)ncc23)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-12-21-18-15(16)11-19-17(20-18)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2
InChIKeyHQBYYCMLGXYIGE-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.41
Rot. Bonds2

About 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine

2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 91460341) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID91460341
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3nc(C4CCCCC4)ncc23)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-12-21-18-15(16)11-19-17(20-18)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2
InChIKeyHQBYYCMLGXYIGE-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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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
N-[3-(diethylamino)propyl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225
2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 337817
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine (CID 91460341) is 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine is c1ccc(-c2csc3nc(C4CCCCC4)ncc23)cc1.
What is the InChIKey of 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is HQBYYCMLGXYIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-7-13(8-4-1)16-12-21-18-15(16)11-19-17(20-18)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine?
2-cyclohexyl-5-phenylthieno[2,3-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 2-cyclohexyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91460341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).