4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine

C14H23N3O — CID 131938332

IUPAC4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCCOCC1CCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H23N3O/c1-4-7-18-10-13-5-6-17(9-13)14-15-11(2)8-12(3)16-14/h8,13H,4-7,9-10H2,1-3H3
InChIKeyLFGYQKZXOBSHRE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.35
Rot. Bonds5

About 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine

4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 131938332) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID131938332
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCCOCC1CCN(c2nc(C)cc(C)n2)C1
InChIInChI=1S/C14H23N3O/c1-4-7-18-10-13-5-6-17(9-13)14-15-11(2)8-12(3)16-14/h8,13H,4-7,9-10H2,1-3H3
InChIKeyLFGYQKZXOBSHRE-UHFFFAOYSA-N
XLogP2.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 95137548
[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 112634703
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
N-[[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 125135546
N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 122156249
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
CID 131937525
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 131938332) is 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine is CCCOCC1CCN(c2nc(C)cc(C)n2)C1.
What is the InChIKey of 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is LFGYQKZXOBSHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-18-10-13-5-6-17(9-13)14-15-11(2)8-12(3)16-14/h8,13H,4-7,9-10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine?
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 131938332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).