(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide

C20H24N4O2S — CID 9456660

IUPAC(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Nc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C20H24N4O2S/c1-12-5-7-16(8-6-12)26-10-9-21-19(25)14(3)24-18-17-13(2)15(4)27-20(17)23-11-22-18/h5-8,11,14H,9-10H2,1-4H3,(H,21,25)(H,22,23,24)/t14-/m1/s1
InChIKeyNIQQTAZVAAUQGC-CQSZACIVSA-N
MW384.51 g/mol
LogP3.61
Rot. Bonds7

About (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide

(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide (PubChem CID 9456660) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide
PubChem CID9456660
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide
SMILESCc1ccc(OCCNC(=O)[C@@H](C)Nc2ncnc3sc(C)c(C)c23)cc1
InChIInChI=1S/C20H24N4O2S/c1-12-5-7-16(8-6-12)26-10-9-21-19(25)14(3)24-18-17-13(2)15(4)27-20(17)23-11-22-18/h5-8,11,14H,9-10H2,1-4H3,(H,21,25)(H,22,23,24)/t14-/m1/s1
InChIKeyNIQQTAZVAAUQGC-CQSZACIVSA-N
XLogP3.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide 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

(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9400677
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 115571995
(2S,3S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoate
CID 6939424
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51077253
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 42919480
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 39084874
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide (CID 9456660) is (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide is Cc1ccc(OCCNC(=O)[C@@H](C)Nc2ncnc3sc(C)c(C)c23)cc1.
What is the InChIKey of (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide?
The InChIKey is NIQQTAZVAAUQGC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-5-7-16(8-6-12)26-10-9-21-19(25)14(3)24-18-17-13(2)15(4)27-20(17)23-11-22-18/h5-8,11,14H,9-10H2,1-4H3,(H,21,25)(H,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide?
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide has a molecular weight of 384.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 9456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).