1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine

C18H24N4 — CID 131925495

IUPAC1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CCN(c3ccccc3C)C2)cn1
InChIInChI=1S/C18H24N4/c1-14-5-3-4-6-18(14)22-8-7-16(13-22)9-19-10-17-11-20-15(2)21-12-17/h3-6,11-12,16,19H,7-10,13H2,1-2H3
InChIKeyDRKZOQIFTJIMEP-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.71
Rot. Bonds5

About 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine

1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine (PubChem CID 131925495) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
PubChem CID131925495
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
SMILESCc1ncc(CNCC2CCN(c3ccccc3C)C2)cn1
InChIInChI=1S/C18H24N4/c1-14-5-3-4-6-18(14)22-8-7-16(13-22)9-19-10-17-11-20-15(2)21-12-17/h3-6,11-12,16,19H,7-10,13H2,1-2H3
InChIKeyDRKZOQIFTJIMEP-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-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

5-ethyl-4-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 72903974
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
7-methyl-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 124852243
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
CID 131890040

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine (CID 131925495) is 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine is Cc1ncc(CNCC2CCN(c3ccccc3C)C2)cn1.
What is the InChIKey of 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is DRKZOQIFTJIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-5-3-4-6-18(14)22-8-7-16(13-22)9-19-10-17-11-20-15(2)21-12-17/h3-6,11-12,16,19H,7-10,13H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine?
1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 296.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 131925495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).