4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine

C10H15FN4O — CID 80787148

IUPAC4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CN(c2nc(N)ncc2F)CCO1
InChIInChI=1S/C10H15FN4O/c1-2-7-6-15(3-4-16-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyZFCFGKHPFFKCCN-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.81
Rot. Bonds2

About 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine

4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80787148) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine
PubChem CID80787148
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CN(c2nc(N)ncc2F)CCO1
InChIInChI=1S/C10H15FN4O/c1-2-7-6-15(3-4-16-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyZFCFGKHPFFKCCN-UHFFFAOYSA-N
XLogP0.81
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine (CID 80787148) is 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine is CCC1CN(c2nc(N)ncc2F)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is ZFCFGKHPFFKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-2-7-6-15(3-4-16-7)9-8(11)5-13-10(12)14-9/h5,7H,2-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine?
4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 226.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80787148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).