N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C15H20N4O2S — CID 97266216

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-3-19-6-4-5-10(19)7-16-14(21)12-9(2)11-13(20)17-8-18-15(11)22-12/h8,10H,3-7H2,1-2H3,(H,16,21)(H,17,18,20)/t10-/m1/s1
InChIKeyZRUCYOWMUTUVGU-SNVBAGLBSA-N
MW320.42 g/mol
LogP1.51
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 97266216) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID97266216
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-3-19-6-4-5-10(19)7-16-14(21)12-9(2)11-13(20)17-8-18-15(11)22-12/h8,10H,3-7H2,1-2H3,(H,16,21)(H,17,18,20)/t10-/m1/s1
InChIKeyZRUCYOWMUTUVGU-SNVBAGLBSA-N
XLogP1.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-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

ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
5-methyl-4-oxo-N-[(3-propyl-1,2-oxazol-5-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 131897091
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106102834
6-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 125019563
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4-methyl-5-methylsulfonylthiophene-2-carboxamide
CID 19995025
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46978339
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-oxo-8H-1,8-naphthyridine-2-carboxamide
CID 166391177

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 97266216) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1sc2nc[nH]c(=O)c2c1C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZRUCYOWMUTUVGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-19-6-4-5-10(19)7-16-14(21)12-9(2)11-13(20)17-8-18-15(11)22-12/h8,10H,3-7H2,1-2H3,(H,16,21)(H,17,18,20)/t10-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 97266216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).