5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C18H20N4S — CID 15985503

IUPAC5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3N3CCCC3)c2c1C
InChIInChI=1S/C18H20N4S/c1-12-13(2)23-18-16(12)17(19-11-20-18)21-14-7-3-4-8-15(14)22-9-5-6-10-22/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKLZWZRGCGHVQSL-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.65
Rot. Bonds3

About 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 15985503) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID15985503
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3N3CCCC3)c2c1C
InChIInChI=1S/C18H20N4S/c1-12-13(2)23-18-16(12)17(19-11-20-18)21-14-7-3-4-8-15(14)22-9-5-6-10-22/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,21)
InChIKeyKLZWZRGCGHVQSL-UHFFFAOYSA-N
XLogP4.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 15985503) is 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccccc3N3CCCC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KLZWZRGCGHVQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-12-13(2)23-18-16(12)17(19-11-20-18)21-14-7-3-4-8-15(14)22-9-5-6-10-22/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15985503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).