2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

C20H23N3OS — CID 43056727

IUPAC2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccc(C)cc1
InChIInChI=1S/C20H23N3OS/c1-6-16(15-9-7-11(2)8-10-15)23-19(24)18-12(3)17-13(4)21-14(5)22-20(17)25-18/h7-10,16H,6H2,1-5H3,(H,23,24)
InChIKeyOWKNMTBELKDTBD-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.81
Rot. Bonds4

About 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43056727) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID43056727
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccc(C)cc1
InChIInChI=1S/C20H23N3OS/c1-6-16(15-9-7-11(2)8-10-15)23-19(24)18-12(3)17-13(4)21-14(5)22-20(17)25-18/h7-10,16H,6H2,1-5H3,(H,23,24)
InChIKeyOWKNMTBELKDTBD-UHFFFAOYSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
N-heptan-2-yl-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46571134
2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 47154179
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46564228
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057186
2,4,5-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24675463
N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33282949
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 43056727) is 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCC(NC(=O)c1sc2nc(C)nc(C)c2c1C)c1ccc(C)cc1.
What is the InChIKey of 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OWKNMTBELKDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-6-16(15-9-7-11(2)8-10-15)23-19(24)18-12(3)17-13(4)21-14(5)22-20(17)25-18/h7-10,16H,6H2,1-5H3,(H,23,24).
What are the key properties of 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[1-(4-methylphenyl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43056727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).