1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine

C13H20N4O2 — CID 164639556

IUPAC1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine
SMILESCCOc1cc(N2CC(N[C@H]3CCOC3)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-2-19-13-5-12(14-9-15-13)17-6-11(7-17)16-10-3-4-18-8-10/h5,9-11,16H,2-4,6-8H2,1H3/t10-/m0/s1
InChIKeyZOBGDJYACYPZKZ-JTQLQIEISA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds5

About 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine

1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine (PubChem CID 164639556) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine
PubChem CID164639556
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine
SMILESCCOc1cc(N2CC(N[C@H]3CCOC3)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-2-19-13-5-12(14-9-15-13)17-6-11(7-17)16-10-3-4-18-8-10/h5,9-11,16H,2-4,6-8H2,1H3/t10-/m0/s1
InChIKeyZOBGDJYACYPZKZ-JTQLQIEISA-N
XLogP0.44
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine?
The IUPAC name of 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine (CID 164639556) is 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine.
What is the SMILES notation for 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine?
The canonical SMILES for 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine is CCOc1cc(N2CC(N[C@H]3CCOC3)C2)ncn1.
What is the InChIKey of 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine?
The InChIKey is ZOBGDJYACYPZKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-13-5-12(14-9-15-13)17-6-11(7-17)16-10-3-4-18-8-10/h5,9-11,16H,2-4,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine?
1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxypyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]azetidin-3-amine is sourced from PubChem (CID 164639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).