4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine

C15H22ClN3O — CID 80970469

IUPAC4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H22ClN3O/c1-4-12-8-20-9(2)7-19(12)15-10(3)13(16)17-14(18-15)11-5-6-11/h9,11-12H,4-8H2,1-3H3
InChIKeyZCHMAVNNYBXDLU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.32
Rot. Bonds3

About 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine

4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine (PubChem CID 80970469) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
PubChem CID80970469
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C15H22ClN3O/c1-4-12-8-20-9(2)7-19(12)15-10(3)13(16)17-14(18-15)11-5-6-11/h9,11-12H,4-8H2,1-3H3
InChIKeyZCHMAVNNYBXDLU-UHFFFAOYSA-N
XLogP3.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidine
CID 80972359
4-(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-ethyl-2-methylmorpholine
CID 103076332
4-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-5-ethyl-2-methylmorpholine
CID 61424002
3,5-dichloro-6-(5-ethyl-2-methylmorpholin-4-yl)pyridin-2-amine
CID 102756606
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62289026
[5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80896237
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
CID 80970909
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
[6-(5-ethyl-2-methylmorpholin-4-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80896083

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine (CID 80970469) is 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
The InChIKey is ZCHMAVNNYBXDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-12-8-20-9(2)7-19(12)15-10(3)13(16)17-14(18-15)11-5-6-11/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine?
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine has a molecular weight of 295.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 80970469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).