1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C13H22N4 — CID 55109731

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2ccnc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-3-17-7-5-12(10-17)8-14-9-13-4-6-15-11(2)16-13/h4,6,12,14H,3,5,7-10H2,1-2H3
InChIKeyJLFLODOZEAHLFF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.22
Rot. Bonds5

About 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 55109731) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID55109731
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCCN1CCC(CNCc2ccnc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-3-17-7-5-12(10-17)8-14-9-13-4-6-15-11(2)16-13/h4,6,12,14H,3,5,7-10H2,1-2H3
InChIKeyJLFLODOZEAHLFF-UHFFFAOYSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 107242512
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258
1-(1-ethylpyrrolidin-3-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760477
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
6-[[(1-ethylpiperidin-4-yl)methylamino]methyl]pyridin-3-ol
CID 79783467
1-(1-ethylpyrrolidin-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60857021
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855695
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 55109731) is 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is CCN1CCC(CNCc2ccnc(C)n2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is JLFLODOZEAHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-7-5-12(10-17)8-14-9-13-4-6-15-11(2)16-13/h4,6,12,14H,3,5,7-10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 55109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).