6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine

C13H15N3OS — CID 164642977

IUPAC6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3C[C@H]4OCC[C@@H]34)ncnc2s1
InChIInChI=1S/C13H15N3OS/c1-7-4-9-12(14-6-15-13(9)18-7)16-10-5-11-8(10)2-3-17-11/h4,6,8,10-11H,2-3,5H2,1H3,(H,14,15,16)/t8-,10-,11+/m0/s1
InChIKeyHKCUFDFUZQIQIR-INTQDDNPSA-N
MW261.35 g/mol
LogP2.59
Rot. Bonds2

About 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164642977) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID164642977
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N[C@H]3C[C@H]4OCC[C@@H]34)ncnc2s1
InChIInChI=1S/C13H15N3OS/c1-7-4-9-12(14-6-15-13(9)18-7)16-10-5-11-8(10)2-3-17-11/h4,6,8,10-11H,2-3,5H2,1H3,(H,14,15,16)/t8-,10-,11+/m0/s1
InChIKeyHKCUFDFUZQIQIR-INTQDDNPSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine (CID 164642977) is 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N[C@H]3C[C@H]4OCC[C@@H]34)ncnc2s1.
What is the InChIKey of 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HKCUFDFUZQIQIR-INTQDDNPSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-7-4-9-12(14-6-15-13(9)18-7)16-10-5-11-8(10)2-3-17-11/h4,6,8,10-11H,2-3,5H2,1H3,(H,14,15,16)/t8-,10-,11+/m0/s1.
What are the key properties of 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164642977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).