N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine

C66H78N12S3 — CID 165100227

IUPACN-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine
SMILESCCc1cc2c(N3CC4(CCC(NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/3C22H26N4S/c3*1-2-18-10-19-20(24-15-25-21(19)27-18)26-13-22(14-26)9-8-17(11-22)23-12-16-6-4-3-5-7-16/h3*3-7,10,15,17,23H,2,8-9,11-14H2,1H3/t2*17-;/m10./s1
InChIKeyYEWGREJLMSXAKS-PUTKXPNSSA-N
MW1135.63 g/mol
LogP13.21
Rot. Bonds15

About N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine

N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine (PubChem CID 165100227) has the molecular formula C66H78N12S3 and a molecular weight of 1135.63 g/mol. Its IUPAC name is N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound NameN-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine
PubChem CID165100227
Molecular FormulaC66H78N12S3
Molecular Weight1135.63 g/mol
Exact Mass1134.56
IUPAC NameN-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine
SMILESCCc1cc2c(N3CC4(CCC(NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1
InChIInChI=1S/3C22H26N4S/c3*1-2-18-10-19-20(24-15-25-21(19)27-18)26-13-22(14-26)9-8-17(11-22)23-12-16-6-4-3-5-7-16/h3*3-7,10,15,17,23H,2,8-9,11-14H2,1H3/t2*17-;/m10./s1
InChIKeyYEWGREJLMSXAKS-PUTKXPNSSA-N
XLogP13.21
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.63
LogP ≤ 513.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine?
The IUPAC name of N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine (CID 165100227) is N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine is CCc1cc2c(N3CC4(CCC(NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@@H](NCc5ccccc5)C4)C3)ncnc2s1.CCc1cc2c(N3CC4(CC[C@H](NCc5ccccc5)C4)C3)ncnc2s1.
What is the InChIKey of N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine?
The InChIKey is YEWGREJLMSXAKS-PUTKXPNSSA-N. The full InChI is InChI=1S/3C22H26N4S/c3*1-2-18-10-19-20(24-15-25-21(19)27-18)26-13-22(14-26)9-8-17(11-22)23-12-16-6-4-3-5-7-16/h3*3-7,10,15,17,23H,2,8-9,11-14H2,1H3/t2*17-;/m10./s1.
What are the key properties of N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine?
N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine has a molecular weight of 1135.63 g/mol, XLogP of 13.21, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6S)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine;(6R)-N-benzyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 165100227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).