1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

C12H16N4S — CID 62067433

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1sc2ncnc(N3CCC(N)C3)c2c1C
InChIInChI=1S/C12H16N4S/c1-7-8(2)17-12-10(7)11(14-6-15-12)16-4-3-9(13)5-16/h6,9H,3-5,13H2,1-2H3
InChIKeyHBBJQLWPWJEKFR-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.85
Rot. Bonds1

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 62067433) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID62067433
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
SMILESCc1sc2ncnc(N3CCC(N)C3)c2c1C
InChIInChI=1S/C12H16N4S/c1-7-8(2)17-12-10(7)11(14-6-15-12)16-4-3-9(13)5-16/h6,9H,3-5,13H2,1-2H3
InChIKeyHBBJQLWPWJEKFR-UHFFFAOYSA-N
XLogP1.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine (CID 62067433) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is Cc1sc2ncnc(N3CCC(N)C3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is HBBJQLWPWJEKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-8(2)17-12-10(7)11(14-6-15-12)16-4-3-9(13)5-16/h6,9H,3-5,13H2,1-2H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62067433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).