N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C24H18N4O3S — CID 56508477

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)sc2n1
InChIInChI=1S/C24H18N4O3S/c1-12-19-13(2)25-14(3)26-22(19)32-20(12)21(29)27-15-7-6-8-16(11-15)28-23(30)17-9-4-5-10-18(17)24(28)31/h4-11H,1-3H3,(H,27,29)
InChIKeyWXTUIGDLTXLAGM-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.67
Rot. Bonds3

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56508477) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56508477
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)sc2n1
InChIInChI=1S/C24H18N4O3S/c1-12-19-13(2)25-14(3)26-22(19)32-20(12)21(29)27-15-7-6-8-16(11-15)28-23(30)17-9-4-5-10-18(17)24(28)31/h4-11H,1-3H3,(H,27,29)
InChIKeyWXTUIGDLTXLAGM-UHFFFAOYSA-N
XLogP4.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56501540
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30377368
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55844285
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860
N-[2-(dimethylsulfamoyl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56500888
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 56507040
2-cyclopropyl-N-(3-methoxyphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671862
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46551243
2,4,5-trimethyl-N-(4-piperidin-1-ylsulfonylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 55555037
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56508477) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)Nc3cccc(N4C(=O)c5ccccc5C4=O)c3)sc2n1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WXTUIGDLTXLAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-12-19-13(2)25-14(3)26-22(19)32-20(12)21(29)27-15-7-6-8-16(11-15)28-23(30)17-9-4-5-10-18(17)24(28)31/h4-11H,1-3H3,(H,27,29).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56508477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).