N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4OS — CID 46363857

IUPACN-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCC2)c2c(C)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1
InChIInChI=1S/C21H24N4OS/c1-12-7-8-16(11-13(12)2)24-20(26)18-14(3)17-19(25-9-5-6-10-25)22-15(4)23-21(17)27-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,24,26)
InChIKeyGSEAYNVJLMPELY-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.78
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46363857) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46363857
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCC2)c2c(C)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1
InChIInChI=1S/C21H24N4OS/c1-12-7-8-16(11-13(12)2)24-20(26)18-14(3)17-19(25-9-5-6-10-25)22-15(4)23-21(17)27-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,24,26)
InChIKeyGSEAYNVJLMPELY-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608084
N-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3525643
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888
2,5-dimethyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363858
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567886
N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608200
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46551243
2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4615150
2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 23734696
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567884
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46363911
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363913

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46363857) is N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCCC2)c2c(C)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GSEAYNVJLMPELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-12-7-8-16(11-13(12)2)24-20(26)18-14(3)17-19(25-9-5-6-10-25)22-15(4)23-21(17)27-18/h7-8,11H,5-6,9-10H2,1-4H3,(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).