4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine

C15H24ClN3O — CID 62086914

IUPAC4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(OCCC2CCCN2C)c(CCl)n1
InChIInChI=1S/C15H24ClN3O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9H2,1-3H3
InChIKeyOYKBACIZLPUMHV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.20
Rot. Bonds6

About 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine

4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine (PubChem CID 62086914) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
PubChem CID62086914
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(OCCC2CCCN2C)c(CCl)n1
InChIInChI=1S/C15H24ClN3O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9H2,1-3H3
InChIKeyOYKBACIZLPUMHV-UHFFFAOYSA-N
XLogP3.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.20
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

[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62321625
4-(chloromethyl)-2-propan-2-yl-5-(2-propylpiperidin-1-yl)pyrimidine
CID 83062508
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
[5-(2-piperidin-1-ylethoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297532
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
1-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]azocane
CID 62088333
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine (CID 62086914) is 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine is CC(C)c1ncc(OCCC2CCCN2C)c(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine?
The InChIKey is OYKBACIZLPUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)15-17-10-14(13(9-16)18-15)20-8-6-12-5-4-7-19(12)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine?
4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine has a molecular weight of 297.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 62086914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).