5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide

C12H14N4OS — CID 53190153

IUPAC5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(N)=O)nc(N3CCCC3)c12
InChIInChI=1S/C12H14N4OS/c1-7-9-8(6-18-7)14-11(10(13)17)15-12(9)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,13,17)
InChIKeyFXXMDDXEPUEXTO-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.70
Rot. Bonds2

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

5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide (PubChem CID 53190153) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
PubChem CID53190153
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(N)=O)nc(N3CCCC3)c12
InChIInChI=1S/C12H14N4OS/c1-7-9-8(6-18-7)14-11(10(13)17)15-12(9)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,13,17)
InChIKeyFXXMDDXEPUEXTO-UHFFFAOYSA-N
XLogP1.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-methylphenyl)-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190129
methyl 3-[(5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carbonyl)amino]benzoate
CID 53190142
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190284
ethyl 4-[(5-methyl-4-morpholin-4-ylthieno[3,4-d]pyrimidine-2-carbonyl)amino]benzoate
CID 53190170
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methyl-4-morpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190228
4-(azetidin-1-yl)-5-methyl-6-(methylamino)pyrimidine-2-carboxamide
CID 58937972
5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
CID 53190261
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
ethyl 2-chloro-4-(1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-5-carboxylate
CID 82065887
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-5-methylthieno[3,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 53198768
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide (CID 53190153) is 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide is Cc1scc2nc(C(N)=O)nc(N3CCCC3)c12.
What is the InChIKey of 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is FXXMDDXEPUEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-9-8(6-18-7)14-11(10(13)17)15-12(9)16-4-2-3-5-16/h6H,2-5H2,1H3,(H2,13,17).
What are the key properties of 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide?
5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pyrrolidin-1-ylthieno[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53190153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).