N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C19H21N3O2S — CID 75466636

IUPACN-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(CCO)Cc3ccccc3)sc2n1
InChIInChI=1S/C19H21N3O2S/c1-12-16-13(2)20-14(3)21-18(16)25-17(12)19(24)22(9-10-23)11-15-7-5-4-6-8-15/h4-8,23H,9-11H2,1-3H3
InChIKeyLNYFQPJQNRAEQQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.25
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 75466636) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID75466636
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(CCO)Cc3ccccc3)sc2n1
InChIInChI=1S/C19H21N3O2S/c1-12-16-13(2)20-14(3)21-18(16)25-17(12)19(24)22(9-10-23)11-15-7-5-4-6-8-15/h4-8,23H,9-11H2,1-3H3
InChIKeyLNYFQPJQNRAEQQ-UHFFFAOYSA-N
XLogP3.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057094
N-benzyl-4-methyl-2-oxo-N-(2-phenylethyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24676564
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848532
N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26274263
N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134056513
N-[3-[4-(dimethylamino)phenyl]propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 37271657
N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 52671490
N,N-dibenzyl-5-chloro-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 5193342
3-amino-N-benzyl-N-(2-hydroxyethyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 113241711

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 75466636) is N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)N(CCO)Cc3ccccc3)sc2n1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LNYFQPJQNRAEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-16-13(2)20-14(3)21-18(16)25-17(12)19(24)22(9-10-23)11-15-7-5-4-6-8-15/h4-8,23H,9-11H2,1-3H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 75466636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).