4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine

C22H27N3S — CID 110497873

IUPAC4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
SMILESCCC1CCCCN1c1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C22H27N3S/c1-4-18-7-5-6-12-25(18)21-20-19(13-26-22(20)24-14-23-21)17-10-8-16(9-11-17)15(2)3/h8-11,13-15,18H,4-7,12H2,1-3H3
InChIKeyRAIGMBAQAJIKGZ-UHFFFAOYSA-N
MW365.55 g/mol
LogP6.25
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine

4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 110497873) has the molecular formula C22H27N3S and a molecular weight of 365.55 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
PubChem CID110497873
Molecular FormulaC22H27N3S
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
SMILESCCC1CCCCN1c1ncnc2scc(-c3ccc(C(C)C)cc3)c12
InChIInChI=1S/C22H27N3S/c1-4-18-7-5-6-12-25(18)21-20-19(13-26-22(20)24-14-23-21)17-10-8-16(9-11-17)15(2)3/h8-11,13-15,18H,4-7,12H2,1-3H3
InChIKeyRAIGMBAQAJIKGZ-UHFFFAOYSA-N
XLogP6.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine
CID 110497871
ethyl 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 110496287
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
N-ethyl-6-(2-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80775470
N',N'-diethyl-N-[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 110496263
ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
4-(2-ethylpiperidin-1-yl)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19140492
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine (CID 110497873) is 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine is CCC1CCCCN1c1ncnc2scc(-c3ccc(C(C)C)cc3)c12.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is RAIGMBAQAJIKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3S/c1-4-18-7-5-6-12-25(18)21-20-19(13-26-22(20)24-14-23-21)17-10-8-16(9-11-17)15(2)3/h8-11,13-15,18H,4-7,12H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine?
4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 365.55 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 110497873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).