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

C94H121N23O11S4 — CID 158145904

IUPAC1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1.CCc1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.Cc1ccccc1NC(=O)NC1CCN(c2nc(N3CCOCC3)c3sccc3n2)CC1
InChIInChI=1S/C24H28N6O3S.C24H30N6O2S.C23H28N6O2S.C23H35N5O4S/c1-16(31)17-2-4-18(5-3-17)25-24(32)26-19-6-9-30(10-7-19)23-27-20-8-15-34-21(20)22(28-23)29-11-13-33-14-12-29;1-2-17-3-5-18(6-4-17)25-24(31)26-19-7-10-30(11-8-19)23-27-20-9-16-33-21(20)22(28-23)29-12-14-32-15-13-29;1-16-4-2-3-5-18(16)26-23(30)24-17-6-9-29(10-7-17)22-25-19-8-15-32-20(19)21(27-22)28-11-13-31-14-12-28;1-22(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/h2-5,8,15,19H,6-7,9-14H2,1H3,(H2,25,26,32);3-6,9,16,19H,2,7-8,10-15H2,1H3,(H2,25,26,31);2-5,8,15,17H,6-7,9-14H2,1H3,(H2,24,26,30);14-15,30H,6-13H2,1-5H3,(H,24,29)
InChIKeyFUMYNFXPXZOFIM-UHFFFAOYSA-N
MW1877.42 g/mol
LogP14.28
Rot. Bonds18

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

1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea (PubChem CID 158145904) has the molecular formula C94H121N23O11S4 and a molecular weight of 1877.42 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea
PubChem CID158145904
Molecular FormulaC94H121N23O11S4
Molecular Weight1877.42 g/mol
Exact Mass1875.85
IUPAC Name1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1.CCc1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.Cc1ccccc1NC(=O)NC1CCN(c2nc(N3CCOCC3)c3sccc3n2)CC1
InChIInChI=1S/C24H28N6O3S.C24H30N6O2S.C23H28N6O2S.C23H35N5O4S/c1-16(31)17-2-4-18(5-3-17)25-24(32)26-19-6-9-30(10-7-19)23-27-20-8-15-34-21(20)22(28-23)29-11-13-33-14-12-29;1-2-17-3-5-18(6-4-17)25-24(31)26-19-7-10-30(11-8-19)23-27-20-9-16-33-21(20)22(28-23)29-12-14-32-15-13-29;1-16-4-2-3-5-18(16)26-23(30)24-17-6-9-29(10-7-17)22-25-19-8-15-32-20(19)21(27-22)28-11-13-31-14-12-28;1-22(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/h2-5,8,15,19H,6-7,9-14H2,1H3,(H2,25,26,32);3-6,9,16,19H,2,7-8,10-15H2,1H3,(H2,25,26,31);2-5,8,15,17H,6-7,9-14H2,1H3,(H2,24,26,30);14-15,30H,6-13H2,1-5H3,(H,24,29)
InChIKeyFUMYNFXPXZOFIM-UHFFFAOYSA-N
XLogP14.28
TPSA364.98 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.42
LogP ≤ 514.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea (CID 158145904) is 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea is CC(=O)c1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.CC(C)(C)OC(=O)NC1CCN(c2nc(N3CCOCC3)c3sc(C(C)(C)O)cc3n2)CC1.CCc1ccc(NC(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.Cc1ccccc1NC(=O)NC1CCN(c2nc(N3CCOCC3)c3sccc3n2)CC1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea?
The InChIKey is FUMYNFXPXZOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3S.C24H30N6O2S.C23H28N6O2S.C23H35N5O4S/c1-16(31)17-2-4-18(5-3-17)25-24(32)26-19-6-9-30(10-7-19)23-27-20-8-15-34-21(20)22(28-23)29-11-13-33-14-12-29;1-2-17-3-5-18(6-4-17)25-24(31)26-19-7-10-30(11-8-19)23-27-20-9-16-33-21(20)22(28-23)29-12-14-32-15-13-29;1-16-4-2-3-5-18(16)26-23(30)24-17-6-9-29(10-7-17)22-25-19-8-15-32-20(19)21(27-22)28-11-13-31-14-12-28;1-22(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/h2-5,8,15,19H,6-7,9-14H2,1H3,(H2,25,26,32);3-6,9,16,19H,2,7-8,10-15H2,1H3,(H2,25,26,31);2-5,8,15,17H,6-7,9-14H2,1H3,(H2,24,26,30);14-15,30H,6-13H2,1-5H3,(H,24,29).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea?
1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea has a molecular weight of 1877.42 g/mol, XLogP of 14.28, 18 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;tert-butyl N-[1-[6-(2-hydroxypropan-2-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]carbamate;1-(4-ethylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea;1-(2-methylphenyl)-3-[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 158145904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).