N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine

C13H22N4 — CID 54939293

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCN1CCC(CNc2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-4-17-6-5-12(9-17)8-14-13-7-10(2)15-11(3)16-13/h7,12H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyUTZPEYHPMSAYBN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.85
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 54939293) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID54939293
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCN1CCC(CNc2cc(C)nc(C)n2)C1
InChIInChI=1S/C13H22N4/c1-4-17-6-5-12(9-17)8-14-13-7-10(2)15-11(3)16-13/h7,12H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyUTZPEYHPMSAYBN-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine 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

N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053019
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
6-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-2,6-diamine
CID 80646581
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563002
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 50977340
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329841
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81139026

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine (CID 54939293) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine is CCN1CCC(CNc2cc(C)nc(C)n2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is UTZPEYHPMSAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-17-6-5-12(9-17)8-14-13-7-10(2)15-11(3)16-13/h7,12H,4-6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 54939293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).