N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C16H20N4 — CID 155958402

IUPACN-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESc1cc(CNCC2CCNC2)cc(-c2cncnc2)c1
InChIInChI=1S/C16H20N4/c1-2-13(7-18-9-14-4-5-17-8-14)6-15(3-1)16-10-19-12-20-11-16/h1-3,6,10-12,14,17-18H,4-5,7-9H2
InChIKeyFVAMOIOAHVVGEE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.84
Rot. Bonds5

About N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 155958402) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID155958402
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESc1cc(CNCC2CCNC2)cc(-c2cncnc2)c1
InChIInChI=1S/C16H20N4/c1-2-13(7-18-9-14-4-5-17-8-14)6-15(3-1)16-10-19-12-20-11-16/h1-3,6,10-12,14,17-18H,4-5,7-9H2
InChIKeyFVAMOIOAHVVGEE-UHFFFAOYSA-N
XLogP1.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine 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-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174667
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
N-[[3-[(4-iodophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135164752
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[[3-[2-(2-bromo-4-methylphenyl)ethynyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 135174165
5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
CID 143624917
N-[(3-hydroxyphenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 58032857
N-[[3-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-3-ylacetamide
CID 104954757
1-(azetidin-3-yl)-N-[[3-(2-bromo-4-chlorophenyl)phenyl]methyl]methanamine
CID 135174816

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 155958402) is N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is c1cc(CNCC2CCNC2)cc(-c2cncnc2)c1.
What is the InChIKey of N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is FVAMOIOAHVVGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-13(7-18-9-14-4-5-17-8-14)6-15(3-1)16-10-19-12-20-11-16/h1-3,6,10-12,14,17-18H,4-5,7-9H2.
What are the key properties of N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 268.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrimidin-5-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 155958402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).