5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C22H35N5OS — CID 18083464

IUPAC5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCC(C)(C)N3CCCCC3)c2c1C
InChIInChI=1S/C22H35N5OS/c1-16-17(2)29-21-19(16)20(23-15-22(3,4)27-8-6-5-7-9-27)24-18(25-21)14-26-10-12-28-13-11-26/h5-15H2,1-4H3,(H,23,24,25)
InChIKeyZNDOEEWZUCFZTJ-UHFFFAOYSA-N
MW417.62 g/mol
LogP3.82
Rot. Bonds6

About 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18083464) has the molecular formula C22H35N5OS and a molecular weight of 417.62 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18083464
Molecular FormulaC22H35N5OS
Molecular Weight417.62 g/mol
Exact Mass417.26
IUPAC Name5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(NCC(C)(C)N3CCCCC3)c2c1C
InChIInChI=1S/C22H35N5OS/c1-16-17(2)29-21-19(16)20(23-15-22(3,4)27-8-6-5-7-9-27)24-18(25-21)14-26-10-12-28-13-11-26/h5-15H2,1-4H3,(H,23,24,25)
InChIKeyZNDOEEWZUCFZTJ-UHFFFAOYSA-N
XLogP3.82
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
1-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-(furan-2-yl)propan-2-ol
CID 133323711
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 18075011
N-(1,4-dithian-2-ylmethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133348870
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55521447
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
1-[[4-[[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 60521483
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18083464) is 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(NCC(C)(C)N3CCCCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNDOEEWZUCFZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5OS/c1-16-17(2)29-21-19(16)20(23-15-22(3,4)27-8-6-5-7-9-27)24-18(25-21)14-26-10-12-28-13-11-26/h5-15H2,1-4H3,(H,23,24,25).
What are the key properties of 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 417.62 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18083464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).