5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

C13H21BrN4O — CID 79657802

IUPAC5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(N)c(Br)c(CC)n2)C1
InChIInChI=1S/C13H21BrN4O/c1-3-5-18-6-7-19-10(8-18)13-16-9(4-2)11(14)12(15)17-13/h10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyUUITYOXDUYLHJR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.17
Rot. Bonds4

About 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (PubChem CID 79657802) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
PubChem CID79657802
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(N)c(Br)c(CC)n2)C1
InChIInChI=1S/C13H21BrN4O/c1-3-5-18-6-7-19-10(8-18)13-16-9(4-2)11(14)12(15)17-13/h10H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyUUITYOXDUYLHJR-UHFFFAOYSA-N
XLogP2.17
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (CID 79657802) is 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is CCCN1CCOC(c2nc(N)c(Br)c(CC)n2)C1.
What is the InChIKey of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The InChIKey is UUITYOXDUYLHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-3-5-18-6-7-19-10(8-18)13-16-9(4-2)11(14)12(15)17-13/h10H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine has a molecular weight of 329.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79657802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).