2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C17H26N4S — CID 133404269

IUPAC2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC2CCN(CC(C)C)C2)c2ccsc2n1
InChIInChI=1S/C17H26N4S/c1-4-15-19-16(14-6-8-22-17(14)20-15)18-9-13-5-7-21(11-13)10-12(2)3/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,18,19,20)
InChIKeyUWFVKHORTRUVKO-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.64
Rot. Bonds6

About 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404269) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133404269
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC2CCN(CC(C)C)C2)c2ccsc2n1
InChIInChI=1S/C17H26N4S/c1-4-15-19-16(14-6-8-22-17(14)20-15)18-9-13-5-7-21(11-13)10-12(2)3/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,18,19,20)
InChIKeyUWFVKHORTRUVKO-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133404269) is 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCC2CCN(CC(C)C)C2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UWFVKHORTRUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-4-15-19-16(14-6-8-22-17(14)20-15)18-9-13-5-7-21(11-13)10-12(2)3/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).