N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C22H26N4OS — CID 52671490

IUPACN,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3N3CCCC3)sc2n1
InChIInChI=1S/C22H26N4OS/c1-14-19-15(2)23-16(3)24-21(19)28-20(14)22(27)25(4)13-17-9-5-6-10-18(17)26-11-7-8-12-26/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyYPRBIAVGKMLOKI-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.49
Rot. Bonds4

About N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 52671490) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID52671490
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3N3CCCC3)sc2n1
InChIInChI=1S/C22H26N4OS/c1-14-19-15(2)23-16(3)24-21(19)28-20(14)22(27)25(4)13-17-9-5-6-10-18(17)26-11-7-8-12-26/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyYPRBIAVGKMLOKI-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 38046916
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26447787
N-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363919
N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057094
2-(furan-2-yl)-N,4,5-trimethyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18162188
N-benzyl-2-cyclopropyl-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24662376
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551

Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 52671490) is N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3N3CCCC3)sc2n1.
What is the InChIKey of N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YPRBIAVGKMLOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-14-19-15(2)23-16(3)24-21(19)28-20(14)22(27)25(4)13-17-9-5-6-10-18(17)26-11-7-8-12-26/h5-6,9-10H,7-8,11-13H2,1-4H3.
What are the key properties of N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 52671490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).