5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

C11H18N4O — CID 80780913

IUPAC5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCOCC1C
InChIInChI=1S/C11H18N4O/c1-3-9-10(12)13-7-14-11(9)15-4-5-16-6-8(15)2/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyWDIZOZVUBAFEAM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.85
Rot. Bonds2

About 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80780913) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID80780913
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCOCC1C
InChIInChI=1S/C11H18N4O/c1-3-9-10(12)13-7-14-11(9)15-4-5-16-6-8(15)2/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyWDIZOZVUBAFEAM-UHFFFAOYSA-N
XLogP0.85
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (CID 80780913) is 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is CCc1c(N)ncnc1N1CCOCC1C.
What is the InChIKey of 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is WDIZOZVUBAFEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-9-10(12)13-7-14-11(9)15-4-5-16-6-8(15)2/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80780913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).