ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate

C24H26N8O3S — CID 67146191

IUPACethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)Cc2cc3nc(N4CCOC(c5cnc(C)nc5)C4)ncc3s2)nc1
InChIInChI=1S/C24H26N8O3S/c1-4-34-22(33)17-10-27-23(28-11-17)31(3)13-18-7-19-21(36-18)12-29-24(30-19)32-5-6-35-20(14-32)16-8-25-15(2)26-9-16/h7-12,20H,4-6,13-14H2,1-3H3
InChIKeyFYGZZIDCIDIVFP-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.97
Rot. Bonds7

About ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate

ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate (PubChem CID 67146191) has the molecular formula C24H26N8O3S and a molecular weight of 506.59 g/mol. Its IUPAC name is ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate
PubChem CID67146191
Molecular FormulaC24H26N8O3S
Molecular Weight506.59 g/mol
Exact Mass506.18
IUPAC Nameethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)Cc2cc3nc(N4CCOC(c5cnc(C)nc5)C4)ncc3s2)nc1
InChIInChI=1S/C24H26N8O3S/c1-4-34-22(33)17-10-27-23(28-11-17)31(3)13-18-7-19-21(36-18)12-29-24(30-19)32-5-6-35-20(14-32)16-8-25-15(2)26-9-16/h7-12,20H,4-6,13-14H2,1-3H3
InChIKeyFYGZZIDCIDIVFP-UHFFFAOYSA-N
XLogP2.97
TPSA119.35 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

2-[[2-[2-(6-acetamido-3-pyridinyl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 87286133
2-[[2-[2-[2-fluoro-5-(2-hydroxyethyl)phenyl]morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 87407071
[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 25109712
ethyl 2-[[2-(4-amino-3,5-difluorophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977696
ethyl 2-[[2-(3-carbamoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977854
ethyl 2-[[2-[4-(ethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977796
ethyl 2-[4-[[(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl-methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate
CID 86682106
4-[6-[[(5-ethoxycarbonylpyrimidin-2-yl)-methylamino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-2,3-dihydroindole-1-carboxylic acid
CID 67145629
[3-[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 25109433
ethyl 2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]morpholin-4-yl]pyrimidine-5-carboxylate
CID 159817251
ethyl 2-[[[2-(3-acetyl-4-aminophenyl)morpholin-4-yl]-thieno[3,2-d]pyrimidin-6-ylmethyl]-methylamino]pyrimidine-5-carboxylate
CID 123588561
ethyl 6-(2-thiophen-2-ylmorpholin-4-yl)pyridine-3-carboxylate
CID 133363565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate (CID 67146191) is ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(N(C)Cc2cc3nc(N4CCOC(c5cnc(C)nc5)C4)ncc3s2)nc1.
What is the InChIKey of ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate?
The InChIKey is FYGZZIDCIDIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3S/c1-4-34-22(33)17-10-27-23(28-11-17)31(3)13-18-7-19-21(36-18)12-29-24(30-19)32-5-6-35-20(14-32)16-8-25-15(2)26-9-16/h7-12,20H,4-6,13-14H2,1-3H3.
What are the key properties of ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate?
ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate has a molecular weight of 506.59 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[[2-[2-(2-methylpyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 67146191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).