(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C21H28N4O3S — CID 3316616

IUPAC(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CCC4(CC3)OCCO4)sc2n1
InChIInChI=1S/C21H28N4O3S/c1-14-16-18(24-8-4-3-5-9-24)22-15(2)23-19(16)29-17(14)20(26)25-10-6-21(7-11-25)27-12-13-28-21/h3-13H2,1-2H3
InChIKeyUIETVCHNKDRSLX-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.28
Rot. Bonds2

About (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 3316616) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID3316616
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CCC4(CC3)OCCO4)sc2n1
InChIInChI=1S/C21H28N4O3S/c1-14-16-18(24-8-4-3-5-9-24)22-15(2)23-19(16)29-17(14)20(26)25-10-6-21(7-11-25)27-12-13-28-21/h3-13H2,1-2H3
InChIKeyUIETVCHNKDRSLX-UHFFFAOYSA-N
XLogP3.28
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 3700092
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
CID 31043286
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567886
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 75448095
(5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-piperazin-1-ylmethanone
CID 39162441
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363913
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46363911
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363857
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567884

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 3316616) is (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1nc(N2CCCCC2)c2c(C)c(C(=O)N3CCC4(CC3)OCCO4)sc2n1.
What is the InChIKey of (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UIETVCHNKDRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-14-16-18(24-8-4-3-5-9-24)22-15(2)23-19(16)29-17(14)20(26)25-10-6-21(7-11-25)27-12-13-28-21/h3-13H2,1-2H3.
What are the key properties of (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 416.55 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 3316616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).