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

C14H20N4O2S — CID 103542060

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(N3CC(OC)C(OC)C3)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-4-8-5-9-12(16-14(15)17-13(9)21-8)18-6-10(19-2)11(7-18)20-3/h5,10-11H,4,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyKXXLVQPEXNLADO-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.69
Rot. Bonds4

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

4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103542060) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103542060
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(N3CC(OC)C(OC)C3)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-4-8-5-9-12(16-14(15)17-13(9)21-8)18-6-10(19-2)11(7-18)20-3/h5,10-11H,4,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyKXXLVQPEXNLADO-UHFFFAOYSA-N
XLogP1.69
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323837
6-ethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323826
[4-(3,4-dimethylpyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334491
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103328311
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
6-ethyl-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 16627269
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
(3S,4S)-4-cyclopropyl-1-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 139019048
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 103333919
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103542060) is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(N3CC(OC)C(OC)C3)nc(N)nc2s1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KXXLVQPEXNLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-8-5-9-12(16-14(15)17-13(9)21-8)18-6-10(19-2)11(7-18)20-3/h5,10-11H,4,6-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 308.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103542060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).