N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

C17H25N3O2S — CID 134056513

IUPACN-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C17H25N3O2S/c1-10(2)9-20(7-8-22-6)17(21)15-11(3)14-12(4)18-13(5)19-16(14)23-15/h10H,7-9H2,1-6H3
InChIKeyNPVLPBZCSZIHCJ-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.36
Rot. Bonds6

About N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134056513) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID134056513
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1sc2nc(C)nc(C)c2c1C
InChIInChI=1S/C17H25N3O2S/c1-10(2)9-20(7-8-22-6)17(21)15-11(3)14-12(4)18-13(5)19-16(14)23-15/h10H,7-9H2,1-6H3
InChIKeyNPVLPBZCSZIHCJ-UHFFFAOYSA-N
XLogP3.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 134056513) is N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is COCCN(CC(C)C)C(=O)c1sc2nc(C)nc(C)c2c1C.
What is the InChIKey of N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NPVLPBZCSZIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-10(2)9-20(7-8-22-6)17(21)15-11(3)14-12(4)18-13(5)19-16(14)23-15/h10H,7-9H2,1-6H3.
What are the key properties of N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4,5-trimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134056513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).