1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine

C15H26N4O — CID 136561972

IUPAC1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine
SMILESCCOCc1nc(C)cc(N2CCC(N(C)C)C2C)n1
InChIInChI=1S/C15H26N4O/c1-6-20-10-14-16-11(2)9-15(17-14)19-8-7-13(12(19)3)18(4)5/h9,12-13H,6-8,10H2,1-5H3
InChIKeyRLXNHFOPFRCYFI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.85
Rot. Bonds5

About 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine

1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine (PubChem CID 136561972) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine
PubChem CID136561972
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine
SMILESCCOCc1nc(C)cc(N2CCC(N(C)C)C2C)n1
InChIInChI=1S/C15H26N4O/c1-6-20-10-14-16-11(2)9-15(17-14)19-8-7-13(12(19)3)18(4)5/h9,12-13H,6-8,10H2,1-5H3
InChIKeyRLXNHFOPFRCYFI-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine (CID 136561972) is 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine is CCOCc1nc(C)cc(N2CCC(N(C)C)C2C)n1.
What is the InChIKey of 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine?
The InChIKey is RLXNHFOPFRCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-20-10-14-16-11(2)9-15(17-14)19-8-7-13(12(19)3)18(4)5/h9,12-13H,6-8,10H2,1-5H3.
What are the key properties of 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine?
1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethyl)-6-methylpyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 136561972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).