4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine

C16H23N5 — CID 80771946

IUPAC4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCCN(C)Cc1ccccc1
InChIInChI=1S/C16H23N5/c1-13-11-19-16(17)20-15(13)18-9-6-10-21(2)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H3,17,18,19,20)
InChIKeyPAHBFTRMTGAOTQ-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.30
Rot. Bonds7

About 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine

4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80771946) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80771946
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCCCN(C)Cc1ccccc1
InChIInChI=1S/C16H23N5/c1-13-11-19-16(17)20-15(13)18-9-6-10-21(2)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H3,17,18,19,20)
InChIKeyPAHBFTRMTGAOTQ-UHFFFAOYSA-N
XLogP2.30
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine 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

2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 80825681
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680
N'-benzyl-N-(2-chloro-6-methylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62476091
5-methyl-4-N-[(2R)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 66991742
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine (CID 80771946) is 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCCCN(C)Cc1ccccc1.
What is the InChIKey of 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is PAHBFTRMTGAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-11-19-16(17)20-15(13)18-9-6-10-21(2)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine?
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80771946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).