N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O2S — CID 45218523

IUPACN-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(O)CNC(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C20H24N4O2S/c1-3-15(25)11-22-19(26)17-13(2)16-18(23-12-24-20(16)27-17)21-10-9-14-7-5-4-6-8-14/h4-8,12,15,25H,3,9-11H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyNAPRMOHJYBXJGK-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.16
Rot. Bonds8

About N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45218523) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45218523
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(O)CNC(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C
InChIInChI=1S/C20H24N4O2S/c1-3-15(25)11-22-19(26)17-13(2)16-18(23-12-24-20(16)27-17)21-10-9-14-7-5-4-6-8-14/h4-8,12,15,25H,3,9-11H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyNAPRMOHJYBXJGK-UHFFFAOYSA-N
XLogP3.16
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)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

N-(2-hydroxybutyl)-5-methyl-4-(2-pyridin-2-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45185176
4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26401099
4-[2-(dimethylamino)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290183
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
4-(ethylamino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26340424
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45220552
propan-2-yl 4-[2-(4-hydroxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849980
4-(2-methoxyethylamino)-5-methyl-N-(3-pyridin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26276087
N-butyl-4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42237008

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45218523) is N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CCC(O)CNC(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C.
What is the InChIKey of N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NAPRMOHJYBXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-15(25)11-22-19(26)17-13(2)16-18(23-12-24-20(16)27-17)21-10-9-14-7-5-4-6-8-14/h4-8,12,15,25H,3,9-11H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45218523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).