6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine

C18H20N4S — CID 133292367

IUPAC6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCN(c4ccccc4)C3)ncnc2s1
InChIInChI=1S/C18H20N4S/c1-2-15-10-16-17(19-12-20-18(16)23-15)21-13-8-9-22(11-13)14-6-4-3-5-7-14/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,19,20,21)
InChIKeyVAEDTYLAKKCPIH-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.94
Rot. Bonds4

About 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133292367) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133292367
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC3CCN(c4ccccc4)C3)ncnc2s1
InChIInChI=1S/C18H20N4S/c1-2-15-10-16-17(19-12-20-18(16)23-15)21-13-8-9-22(11-13)14-6-4-3-5-7-14/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,19,20,21)
InChIKeyVAEDTYLAKKCPIH-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133292367) is 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC3CCN(c4ccccc4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VAEDTYLAKKCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-2-15-10-16-17(19-12-20-18(16)23-15)21-13-8-9-22(11-13)14-6-4-3-5-7-14/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,19,20,21).
What are the key properties of 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133292367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).