1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

C13H22N4 — CID 113329210

IUPAC1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccnc(C)n1
InChIInChI=1S/C13H22N4/c1-4-17-8-6-11(9-14-3)13(17)12-5-7-15-10(2)16-12/h5,7,11,13-14H,4,6,8-9H2,1-3H3
InChIKeyYDUBCNFPCDXBNO-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.39
Rot. Bonds4

About 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 113329210) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID113329210
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccnc(C)n1
InChIInChI=1S/C13H22N4/c1-4-17-8-6-11(9-14-3)13(17)12-5-7-15-10(2)16-12/h5,7,11,13-14H,4,6,8-9H2,1-3H3
InChIKeyYDUBCNFPCDXBNO-UHFFFAOYSA-N
XLogP1.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 113329210) is 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is CCN1CCC(CNC)C1c1ccnc(C)n1.
What is the InChIKey of 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is YDUBCNFPCDXBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-17-8-6-11(9-14-3)13(17)12-5-7-15-10(2)16-12/h5,7,11,13-14H,4,6,8-9H2,1-3H3.
What are the key properties of 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 113329210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).