6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

C17H17N3S — CID 853253

IUPAC6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCCCC4)ncnc3s2)cc1
InChIInChI=1S/C17H17N3S/c1-3-7-13(8-4-1)15-11-14-16(18-12-19-17(14)21-15)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyBXSWESRJBMNTNC-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.35
Rot. Bonds2

About 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine

6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 853253) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID853253
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(N4CCCCC4)ncnc3s2)cc1
InChIInChI=1S/C17H17N3S/c1-3-7-13(8-4-1)15-11-14-16(18-12-19-17(14)21-15)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKeyBXSWESRJBMNTNC-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
Ddp-225
CID 6918194
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
2,4-Diamino-6-benzyl-5-methylthieno[2,3-d]pyrimidine
CID 457382
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
5,6,7,8-Tetrahydrobenzo(4,5)thieno(2,3-d)pyrimidin-4-amine
CID 258149
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
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
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid)
CID 71583208

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 853253) is 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is c1ccc(-c2cc3c(N4CCCCC4)ncnc3s2)cc1.
What is the InChIKey of 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is BXSWESRJBMNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-7-13(8-4-1)15-11-14-16(18-12-19-17(14)21-15)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2.
What are the key properties of 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 295.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 853253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).