1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine

C11H18N4O — CID 66324925

IUPAC1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCCOc1ncnc(NC2CC(N)C2)c1C
InChIInChI=1S/C11H18N4O/c1-3-16-11-7(2)10(13-6-14-11)15-9-4-8(12)5-9/h6,8-9H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyFBMSBWUUHCGWBH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds4

About 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine

1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine (PubChem CID 66324925) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine
PubChem CID66324925
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCCOc1ncnc(NC2CC(N)C2)c1C
InChIInChI=1S/C11H18N4O/c1-3-16-11-7(2)10(13-6-14-11)15-9-4-8(12)5-9/h6,8-9H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyFBMSBWUUHCGWBH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine (CID 66324925) is 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine is CCOc1ncnc(NC2CC(N)C2)c1C.
What is the InChIKey of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine?
The InChIKey is FBMSBWUUHCGWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-16-11-7(2)10(13-6-14-11)15-9-4-8(12)5-9/h6,8-9H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine?
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 66324925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).