N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

C25H32N4O3S — CID 26316209

IUPACN-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C
InChIInChI=1S/C25H32N4O3S/c1-3-31-13-7-12-26-23(30)21-18(2)20-22(28-17-29-24(20)33-21)27-16-25(10-14-32-15-11-25)19-8-5-4-6-9-19/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyYIKQUEZYTVTTSG-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.32
Rot. Bonds10

About N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26316209) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26316209
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCOCCCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C
InChIInChI=1S/C25H32N4O3S/c1-3-31-13-7-12-26-23(30)21-18(2)20-22(28-17-29-24(20)33-21)27-16-25(10-14-32-15-11-25)19-8-5-4-6-9-19/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyYIKQUEZYTVTTSG-UHFFFAOYSA-N
XLogP4.32
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-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

5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
N-butyl-N,5-dimethyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42370274
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
N,5-dimethyl-4-[(4-phenyloxan-4-yl)methylamino]-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26343814
N-(3-ethoxypropyl)-4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42162402
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
4-[cyclohexyl(methyl)amino]-N-(3-ethoxypropyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53299143
N-[(4-phenyloxan-4-yl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 19578445
4-(3-methoxypropylamino)-5-methyl-N-(2-methylsulfanylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42449732
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
5-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26349314
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 26316209) is N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is CCOCCCNC(=O)c1sc2ncnc(NCC3(c4ccccc4)CCOCC3)c2c1C.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YIKQUEZYTVTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-3-31-13-7-12-26-23(30)21-18(2)20-22(28-17-29-24(20)33-21)27-16-25(10-14-32-15-11-25)19-8-5-4-6-9-19/h4-6,8-9,17H,3,7,10-16H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26316209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).