2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine

C13H19Cl2N3O — CID 79666831

IUPAC2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(Cl)c(C(C)C)c(Cl)n2)C1
InChIInChI=1S/C13H19Cl2N3O/c1-4-18-5-6-19-9(7-18)13-16-11(14)10(8(2)3)12(15)17-13/h8-9H,4-7H2,1-3H3
InChIKeyBFKYUNAKPMELFE-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.30
Rot. Bonds3

About 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine

2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine (PubChem CID 79666831) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine.

Molecular Properties

Compound Name2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
PubChem CID79666831
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(Cl)c(C(C)C)c(Cl)n2)C1
InChIInChI=1S/C13H19Cl2N3O/c1-4-18-5-6-19-9(7-18)13-16-11(14)10(8(2)3)12(15)17-13/h8-9H,4-7H2,1-3H3
InChIKeyBFKYUNAKPMELFE-UHFFFAOYSA-N
XLogP3.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
2-(4-tert-butyl-6-chloro-5-iodopyrimidin-2-yl)-4-ethylmorpholine
CID 79666071
2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
CID 79077180
2-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669754
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278
2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669673
2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
3-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 79078386
6-ethyl-2-(4-ethylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79669666
[2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 79669347
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine?
The IUPAC name of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine (CID 79666831) is 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine.
What is the SMILES notation for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine?
The canonical SMILES for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine is CCN1CCOC(c2nc(Cl)c(C(C)C)c(Cl)n2)C1.
What is the InChIKey of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine?
The InChIKey is BFKYUNAKPMELFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-4-18-5-6-19-9(7-18)13-16-11(14)10(8(2)3)12(15)17-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine?
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine has a molecular weight of 304.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine is sourced from PubChem (CID 79666831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).