2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine

C12H18ClN3O — CID 79669673

IUPAC2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(C)cc(CCl)n2)C1
InChIInChI=1S/C12H18ClN3O/c1-3-16-4-5-17-11(8-16)12-14-9(2)6-10(7-13)15-12/h6,11H,3-5,7-8H2,1-2H3
InChIKeyKPEOKPNDHAWKSH-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine

2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine (PubChem CID 79669673) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine.

Molecular Properties

Compound Name2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
PubChem CID79669673
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(C)cc(CCl)n2)C1
InChIInChI=1S/C12H18ClN3O/c1-3-16-4-5-17-11(8-16)12-14-9(2)6-10(7-13)15-12/h6,11H,3-5,7-8H2,1-2H3
InChIKeyKPEOKPNDHAWKSH-UHFFFAOYSA-N
XLogP1.92
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-amine
CID 79669506
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
[2-(4-ethylmorpholin-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 79669347
N-[[6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79664665
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278
6-ethyl-2-(4-ethylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79669666
N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800
2-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669754
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-ethylmorpholine
CID 79666831
[6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-yl]methanamine
CID 79663846
N-methyl-1-[6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-yl]methanamine
CID 79089279
6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
CID 79657111

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine?
The IUPAC name of 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine (CID 79669673) is 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine.
What is the SMILES notation for 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine?
The canonical SMILES for 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine is CCN1CCOC(c2nc(C)cc(CCl)n2)C1.
What is the InChIKey of 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine?
The InChIKey is KPEOKPNDHAWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16-4-5-17-11(8-16)12-14-9(2)6-10(7-13)15-12/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine?
2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-6-methylpyrimidin-2-yl]-4-ethylmorpholine is sourced from PubChem (CID 79669673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).