2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H29N3O3S — CID 18209236

IUPAC2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-13-18-14(2)24-22(23(3,4)5)25-20(18)30-19(13)21(27)26(6)12-15-9-10-16(28-7)11-17(15)29-8/h9-11H,12H2,1-8H3
InChIKeyFMRMNJBGEPGHEW-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.90
Rot. Bonds5

About 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 18209236) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID18209236
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c(OC)c1
InChIInChI=1S/C23H29N3O3S/c1-13-18-14(2)24-22(23(3,4)5)25-20(18)30-19(13)21(27)26(6)12-15-9-10-16(28-7)11-17(15)29-8/h9-11H,12H2,1-8H3
InChIKeyFMRMNJBGEPGHEW-UHFFFAOYSA-N
XLogP4.90
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55605894
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
5-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 78881544
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119682743
2-(2-aminoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617472

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 18209236) is 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccc(CN(C)C(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c(OC)c1.
What is the InChIKey of 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FMRMNJBGEPGHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-13-18-14(2)24-22(23(3,4)5)25-20(18)30-19(13)21(27)26(6)12-15-9-10-16(28-7)11-17(15)29-8/h9-11H,12H2,1-8H3.
What are the key properties of 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 18209236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).