tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane

C25H41N5O4S — CID 145317694

IUPACtert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C23H35N5O4S.C2H6/c1-22(2,3)32-21(29)24-15-6-8-28(9-7-15)20-25-16-14-17(23(4,5)30)33-18(16)19(26-20)27-10-12-31-13-11-27;1-2/h14-15,30H,6-13H2,1-5H3,(H,24,29);1-2H3
InChIKeyFJVBRHUKXJNHSD-UHFFFAOYSA-N
MW507.70 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane

tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane (PubChem CID 145317694) has the molecular formula C25H41N5O4S and a molecular weight of 507.70 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane
PubChem CID145317694
Molecular FormulaC25H41N5O4S
Molecular Weight507.70 g/mol
Exact Mass507.29
IUPAC Nametert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane
SMILESCC.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1
InChIInChI=1S/C23H35N5O4S.C2H6/c1-22(2,3)32-21(29)24-15-6-8-28(9-7-15)20-25-16-14-17(23(4,5)30)33-18(16)19(26-20)27-10-12-31-13-11-27;1-2/h14-15,30H,6-13H2,1-5H3,(H,24,29);1-2H3
InChIKeyFJVBRHUKXJNHSD-UHFFFAOYSA-N
XLogP4.28
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.70
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamoylamino]benzoate
CID 129165031
tert-butyl N-[1-(4-chloro-6-methoxypyrimidin-2-yl)piperidin-4-yl]carbamate
CID 86709788
tert-butyl N-[(3R)-1-(6-amino-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-5-yl)pyrrolidin-3-yl]carbamate
CID 140804181
tert-butyl N-[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]carbamate
CID 66698068
2-[2-(2-amino-1,3-thiazol-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829277
2-[2-(5-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59829481
tert-butyl N-[(3S)-1-(6-amino-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-5-yl)piperidin-3-yl]carbamate
CID 140804152
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 156555085
tert-butyl N-(5-morpholin-4-yl-3,4-dihydro-2H-pyran-3-yl)carbamate
CID 145406239
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
trifluoro-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]boranuide
CID 167740695

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane (CID 145317694) is tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane is CC.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1.
What is the InChIKey of tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane?
The InChIKey is FJVBRHUKXJNHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4S.C2H6/c1-22(2,3)32-21(29)24-15-6-8-28(9-7-15)20-25-16-14-17(23(4,5)30)33-18(16)19(26-20)27-10-12-31-13-11-27;1-2/h14-15,30H,6-13H2,1-5H3,(H,24,29);1-2H3.
What are the key properties of tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane?
tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane has a molecular weight of 507.70 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;ethane is sourced from PubChem (CID 145317694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).