3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine

C11H18N4O — CID 66197266

IUPAC3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1ncc(C)cn1
InChIInChI=1S/C11H18N4O/c1-3-16-9-4-8(12)10(9)15-11-13-5-7(2)6-14-11/h5-6,8-10H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyHAOLEZVWFVVRKR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds4

About 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine (PubChem CID 66197266) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine
PubChem CID66197266
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1ncc(C)cn1
InChIInChI=1S/C11H18N4O/c1-3-16-9-4-8(12)10(9)15-11-13-5-7(2)6-14-11/h5-6,8-10H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyHAOLEZVWFVVRKR-UHFFFAOYSA-N
XLogP0.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
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-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine (CID 66197266) is 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1ncc(C)cn1.
What is the InChIKey of 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine?
The InChIKey is HAOLEZVWFVVRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-16-9-4-8(12)10(9)15-11-13-5-7(2)6-14-11/h5-6,8-10H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine has a molecular weight of 222.29 g/mol, XLogP of 0.70, 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-(5-methylpyrimidin-2-yl)cyclobutane-1,2-diamine is sourced from PubChem (CID 66197266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).