N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

C11H17FN4O — CID 80782339

IUPACN-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16-4-5-17-7-8(16)2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYNXVQKAIRJNHCD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.27
Rot. Bonds3

About N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (PubChem CID 80782339) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
PubChem CID80782339
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC NameN-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16-4-5-17-7-8(16)2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyYNXVQKAIRJNHCD-UHFFFAOYSA-N
XLogP1.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine (CID 80782339) is N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is CCNc1ncc(F)c(N2CCOCC2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
The InChIKey is YNXVQKAIRJNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-3-13-11-14-6-9(12)10(15-11)16-4-5-17-7-8(16)2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80782339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).