ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C26H42N6O2S — CID 143565866

IUPACethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC.Cc1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(=O)N4CCCC4)CC3)cc2n1
InChIInChI=1S/C24H36N6O2S.C2H6/c1-18-25-20-16-19(33-21(20)22(26-18)28-12-14-32-15-13-28)17-27-8-10-30(11-9-27)24(2,3)23(31)29-6-4-5-7-29;1-2/h16H,4-15,17H2,1-3H3;1-2H3
InChIKeyUQANZTLUKKLUNK-UHFFFAOYSA-N
MW502.73 g/mol
LogP3.38
Rot. Bonds5

About ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 143565866) has the molecular formula C26H42N6O2S and a molecular weight of 502.73 g/mol. Its IUPAC name is ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID143565866
Molecular FormulaC26H42N6O2S
Molecular Weight502.73 g/mol
Exact Mass502.31
IUPAC Nameethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC.Cc1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(=O)N4CCCC4)CC3)cc2n1
InChIInChI=1S/C24H36N6O2S.C2H6/c1-18-25-20-16-19(33-21(20)22(26-18)28-12-14-32-15-13-28)17-27-8-10-30(11-9-27)24(2,3)23(31)29-6-4-5-7-29;1-2/h16H,4-15,17H2,1-3H3;1-2H3
InChIKeyUQANZTLUKKLUNK-UHFFFAOYSA-N
XLogP3.38
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

4-[2-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59582499
tert-butyl 4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
CID 57494058
2-[4-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropan-1-ol
CID 57493976
2-methyl-2-[4-[[2-(6-methylimidazo[1,2-a]pyridin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605549
2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605437
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 59605882
(3R)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494048
(3S)-1-[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 57494049
2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 59605344
(2S)-3-[4-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87670523
[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]hydrazine
CID 66553869

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 143565866) is ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC.Cc1nc(N2CCOCC2)c2sc(CN3CCN(C(C)(C)C(=O)N4CCCC4)CC3)cc2n1.
What is the InChIKey of ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UQANZTLUKKLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2S.C2H6/c1-18-25-20-16-19(33-21(20)22(26-18)28-12-14-32-15-13-28)17-27-8-10-30(11-9-27)24(2,3)23(31)29-6-4-5-7-29;1-2/h16H,4-15,17H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 502.73 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 143565866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).