3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine

C10H16N4O — CID 66196480

IUPAC3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1ncccn1
InChIInChI=1S/C10H16N4O/c1-2-15-8-6-7(11)9(8)14-10-12-4-3-5-13-10/h3-5,7-9H,2,6,11H2,1H3,(H,12,13,14)
InChIKeyOZYPKQGIDDKDAD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.39
Rot. Bonds4

About 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine

3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine (PubChem CID 66196480) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine
PubChem CID66196480
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1ncccn1
InChIInChI=1S/C10H16N4O/c1-2-15-8-6-7(11)9(8)14-10-12-4-3-5-13-10/h3-5,7-9H,2,6,11H2,1H3,(H,12,13,14)
InChIKeyOZYPKQGIDDKDAD-UHFFFAOYSA-N
XLogP0.39
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine (CID 66196480) is 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1ncccn1.
What is the InChIKey of 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine?
The InChIKey is OZYPKQGIDDKDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-15-8-6-7(11)9(8)14-10-12-4-3-5-13-10/h3-5,7-9H,2,6,11H2,1H3,(H,12,13,14).
What are the key properties of 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine?
3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-pyrimidin-2-ylcyclobutane-1,2-diamine is sourced from PubChem (CID 66196480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).