N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C17H19N5S — CID 166257983

IUPACN-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNCC1Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C17H19N5S/c1-17(2)10-18-9-13(17)20-14-11-6-8-23-16(11)22-15(21-14)12-5-3-4-7-19-12/h3-8,13,18H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyKNGZDKIUWAKJKG-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.16
Rot. Bonds3

About N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166257983) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166257983
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC NameN-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC1(C)CNCC1Nc1nc(-c2ccccn2)nc2sccc12
InChIInChI=1S/C17H19N5S/c1-17(2)10-18-9-13(17)20-14-11-6-8-23-16(11)22-15(21-14)12-5-3-4-7-19-12/h3-8,13,18H,9-10H2,1-2H3,(H,20,21,22)
InChIKeyKNGZDKIUWAKJKG-UHFFFAOYSA-N
XLogP3.16
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166257983) is N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CC1(C)CNCC1Nc1nc(-c2ccccn2)nc2sccc12.
What is the InChIKey of N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KNGZDKIUWAKJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-17(2)10-18-9-13(17)20-14-11-6-8-23-16(11)22-15(21-14)12-5-3-4-7-19-12/h3-8,13,18H,9-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166257983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).