N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide

C36H37N9O4S — CID 162374405

IUPACN-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)N1c2ccc(-c3cccc(NC(=O)CNC(=O)c4sc5c(N6CCOCC6)nc(-c6cnc(N)nc6)nc5c4C)c3)cc2CC[C@@H]1C
InChIInChI=1S/C36H37N9O4S/c1-20-7-8-25-15-24(9-10-28(25)45(20)22(3)46)23-5-4-6-27(16-23)41-29(47)19-38-35(48)31-21(2)30-32(50-31)34(44-11-13-49-14-12-44)43-33(42-30)26-17-39-36(37)40-18-26/h4-6,9-10,15-18,20H,7-8,11-14,19H2,1-3H3,(H,38,48)(H,41,47)(H2,37,39,40)/t20-/m0/s1
InChIKeyMIGOFSREEJYXBV-FQEVSTJZSA-N
MW691.82 g/mol
LogP4.60
Rot. Bonds7

About N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide

N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 162374405) has the molecular formula C36H37N9O4S and a molecular weight of 691.82 g/mol. Its IUPAC name is N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID162374405
Molecular FormulaC36H37N9O4S
Molecular Weight691.82 g/mol
Exact Mass691.27
IUPAC NameN-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)N1c2ccc(-c3cccc(NC(=O)CNC(=O)c4sc5c(N6CCOCC6)nc(-c6cnc(N)nc6)nc5c4C)c3)cc2CC[C@@H]1C
InChIInChI=1S/C36H37N9O4S/c1-20-7-8-25-15-24(9-10-28(25)45(20)22(3)46)23-5-4-6-27(16-23)41-29(47)19-38-35(48)31-21(2)30-32(50-31)34(44-11-13-49-14-12-44)43-33(42-30)26-17-39-36(37)40-18-26/h4-6,9-10,15-18,20H,7-8,11-14,19H2,1-3H3,(H,38,48)(H,41,47)(H2,37,39,40)/t20-/m0/s1
InChIKeyMIGOFSREEJYXBV-FQEVSTJZSA-N
XLogP4.60
TPSA168.56 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.82
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide 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

N-[3-[[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]propyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide
CID 162374414
N-[[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374488
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
N-[[5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)thiophen-2-yl]methyl]-6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374373
[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
CID 73053951
ethyl 11-(2-aminopyrimidin-5-yl)-9-morpholin-4-yl-7-thia-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-4-carboxylate
CID 56838921
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 57402096
N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
CID 25109497
[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 59829431
3-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87530195
3-[2-[[4-(1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)benzoyl]amino]ethyl]-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 175883875

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide (CID 162374405) is N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide is CC(=O)N1c2ccc(-c3cccc(NC(=O)CNC(=O)c4sc5c(N6CCOCC6)nc(-c6cnc(N)nc6)nc5c4C)c3)cc2CC[C@@H]1C.
What is the InChIKey of N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is MIGOFSREEJYXBV-FQEVSTJZSA-N. The full InChI is InChI=1S/C36H37N9O4S/c1-20-7-8-25-15-24(9-10-28(25)45(20)22(3)46)23-5-4-6-27(16-23)41-29(47)19-38-35(48)31-21(2)30-32(50-31)34(44-11-13-49-14-12-44)43-33(42-30)26-17-39-36(37)40-18-26/h4-6,9-10,15-18,20H,7-8,11-14,19H2,1-3H3,(H,38,48)(H,41,47)(H2,37,39,40)/t20-/m0/s1.
What are the key properties of N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide?
N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 691.82 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]anilino]-2-oxoethyl]-2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 162374405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).