2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C23H26N4O2S — CID 46475614

IUPAC2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C23H26N4O2S/c1-11(2)21(28)25-16-9-6-12(3)17(10-16)26-22(29)19-13(4)18-14(5)24-20(15-7-8-15)27-23(18)30-19/h6,9-11,15H,7-8H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyALWFAOPSRHOZKA-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.34
Rot. Bonds5

About 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46475614) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46475614
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C
InChIInChI=1S/C23H26N4O2S/c1-11(2)21(28)25-16-9-6-12(3)17(10-16)26-22(29)19-13(4)18-14(5)24-20(15-7-8-15)27-23(18)30-19/h6,9-11,15H,7-8H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyALWFAOPSRHOZKA-UHFFFAOYSA-N
XLogP5.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-4,5-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 43052063
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55879045
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
2-cyclopropyl-N-(2-methoxy-4-nitrophenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 39975723
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
2-cyclopropyl-4,5-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24659915
N-[3-(tert-butylsulfamoyl)phenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33206224
2-cyclopropyl-4,5-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55825169
2-cyclopropyl-4,5-dimethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 24665431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46475614) is 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ALWFAOPSRHOZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-11(2)21(28)25-16-9-6-12(3)17(10-16)26-22(29)19-13(4)18-14(5)24-20(15-7-8-15)27-23(18)30-19/h6,9-11,15H,7-8H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46475614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).