N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C19H17N5OS — CID 166320075

IUPACN-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3conc3C3CCC3)c3ccsc3n2)nc1
InChIInChI=1S/C19H17N5OS/c1-2-8-20-15(6-1)18-22-17(14-7-9-26-19(14)23-18)21-10-13-11-25-24-16(13)12-4-3-5-12/h1-2,6-9,11-12H,3-5,10H2,(H,21,22,23)
InChIKeySTPFQURADPLECB-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.62
Rot. Bonds5

About N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166320075) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166320075
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(NCc3conc3C3CCC3)c3ccsc3n2)nc1
InChIInChI=1S/C19H17N5OS/c1-2-8-20-15(6-1)18-22-17(14-7-9-26-19(14)23-18)21-10-13-11-25-24-16(13)12-4-3-5-12/h1-2,6-9,11-12H,3-5,10H2,(H,21,22,23)
InChIKeySTPFQURADPLECB-UHFFFAOYSA-N
XLogP4.62
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166320075) is N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2nc(NCc3conc3C3CCC3)c3ccsc3n2)nc1.
What is the InChIKey of N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is STPFQURADPLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-8-20-15(6-1)18-22-17(14-7-9-26-19(14)23-18)21-10-13-11-25-24-16(13)12-4-3-5-12/h1-2,6-9,11-12H,3-5,10H2,(H,21,22,23).
What are the key properties of N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 363.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166320075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).