N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine

C10H15N3O3 — CID 102608811

IUPACN-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OC2COC2)c1OC
InChIInChI=1S/C10H15N3O3/c1-3-11-9-8(14-2)10(13-6-12-9)16-7-4-15-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKNSIEEUMVKLZMU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.69
Rot. Bonds5

About N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine

N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine (PubChem CID 102608811) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
PubChem CID102608811
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OC2COC2)c1OC
InChIInChI=1S/C10H15N3O3/c1-3-11-9-8(14-2)10(13-6-12-9)16-7-4-15-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyKNSIEEUMVKLZMU-UHFFFAOYSA-N
XLogP0.69
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine (CID 102608811) is N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine is CCNc1ncnc(OC2COC2)c1OC.
What is the InChIKey of N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine?
The InChIKey is KNSIEEUMVKLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-11-9-8(14-2)10(13-6-12-9)16-7-4-15-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine?
N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine has a molecular weight of 225.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 102608811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).