4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine

C14H19N3S — CID 133403862

IUPAC4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCC(C)C2C)c2ccsc2n1
InChIInChI=1S/C14H19N3S/c1-4-12-15-13(11-6-8-18-14(11)16-12)17-7-5-9(2)10(17)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyJUDFCSOCJLMOEX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.49
Rot. Bonds2

About 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine

4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine (PubChem CID 133403862) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
PubChem CID133403862
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCC(C)C2C)c2ccsc2n1
InChIInChI=1S/C14H19N3S/c1-4-12-15-13(11-6-8-18-14(11)16-12)17-7-5-9(2)10(17)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyJUDFCSOCJLMOEX-UHFFFAOYSA-N
XLogP3.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
CID 133404111
4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-3-(5-methylfuran-2-yl)morpholine
CID 133403948
2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133403636
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
N-[[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methyl]benzamide
CID 133403725
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine (CID 133403862) is 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine is CCc1nc(N2CCC(C)C2C)c2ccsc2n1.
What is the InChIKey of 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine?
The InChIKey is JUDFCSOCJLMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-12-15-13(11-6-8-18-14(11)16-12)17-7-5-9(2)10(17)3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine?
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine has a molecular weight of 261.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133403862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).