1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C14H19ClN4S — CID 103321619

IUPAC1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1cc2c(N3CCC(N(C)C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN4S/c1-4-10-7-11-12(16-14(15)17-13(11)20-10)19-6-5-9(8-19)18(2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyFVEURTMUVWPYGG-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 103321619) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID103321619
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1cc2c(N3CCC(N(C)C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN4S/c1-4-10-7-11-12(16-14(15)17-13(11)20-10)19-6-5-9(8-19)18(2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyFVEURTMUVWPYGG-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 103321619) is 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is CCc1cc2c(N3CCC(N(C)C)C3)nc(Cl)nc2s1.
What is the InChIKey of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FVEURTMUVWPYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-4-10-7-11-12(16-14(15)17-13(11)20-10)19-6-5-9(8-19)18(2)3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 310.85 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 103321619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).