5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide

C19H20N4OS — CID 53190129

IUPAC5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc(N2CCCC2)c2c(C)scc2n1
InChIInChI=1S/C19H20N4OS/c1-12-7-3-4-8-14(12)21-19(24)17-20-15-11-25-13(2)16(15)18(22-17)23-9-5-6-10-23/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyDCVACVJVAKJAJE-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.16
Rot. Bonds3

About 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide

5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide (PubChem CID 53190129) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
PubChem CID53190129
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1nc(N2CCCC2)c2c(C)scc2n1
InChIInChI=1S/C19H20N4OS/c1-12-7-3-4-8-14(12)21-19(24)17-20-15-11-25-13(2)16(15)18(22-17)23-9-5-6-10-23/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,24)
InChIKeyDCVACVJVAKJAJE-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carbonyl)amino]benzoate
CID 53190142
5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190153
N-(2,6-dimethylphenyl)-5,6-dimethyl-7-phenyl-4-piperidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 46386688
5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190261
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methyl-4-morpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190228
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168185
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 84554418
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
N-(3-chloro-4-methylphenyl)-5,6-dimethyl-7-phenyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 50829708

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide (CID 53190129) is 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide is Cc1ccccc1NC(=O)c1nc(N2CCCC2)c2c(C)scc2n1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is DCVACVJVAKJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-7-3-4-8-14(12)21-19(24)17-20-15-11-25-13(2)16(15)18(22-17)23-9-5-6-10-23/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53190129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).