5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine

C12H19BrN4O — CID 80796103

IUPAC5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCCC1COC(C)CN1c1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-9-7-18-8(2)6-17(9)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyYFPNBWISWYROQM-UHFFFAOYSA-N
MW315.22 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine

5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 80796103) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
PubChem CID80796103
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine
SMILESCCC1COC(C)CN1c1nc(NC)ncc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-9-7-18-8(2)6-17(9)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyYFPNBWISWYROQM-UHFFFAOYSA-N
XLogP2.28
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
5-bromo-4-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 83224305
5-bromo-4-(2,6-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80764445
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80787331
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335
1-[5-(5-ethyl-2-methylmorpholin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379770
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 62287071
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62289026
N-ethyl-6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-amine
CID 80796209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine (CID 80796103) is 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine is CCC1COC(C)CN1c1nc(NC)ncc1Br.
What is the InChIKey of 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is YFPNBWISWYROQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-4-9-7-18-8(2)6-17(9)11-10(13)5-15-12(14-3)16-11/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine?
5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 315.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80796103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).