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

C15H21N5 — CID 116795430

IUPAC2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
SMILESCN(CCCNc1nccc(N)n1)Cc1ccccc1
InChIInChI=1S/C15H21N5/c1-20(12-13-6-3-2-4-7-13)11-5-9-17-15-18-10-8-14(16)19-15/h2-4,6-8,10H,5,9,11-12H2,1H3,(H3,16,17,18,19)
InChIKeyPIAXOBJSPDGVET-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.99
Rot. Bonds7

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

2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine (PubChem CID 116795430) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
PubChem CID116795430
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
SMILESCN(CCCNc1nccc(N)n1)Cc1ccccc1
InChIInChI=1S/C15H21N5/c1-20(12-13-6-3-2-4-7-13)11-5-9-17-15-18-10-8-14(16)19-15/h2-4,6-8,10H,5,9,11-12H2,1H3,(H3,16,17,18,19)
InChIKeyPIAXOBJSPDGVET-UHFFFAOYSA-N
XLogP1.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
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
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine (CID 116795430) is 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine is CN(CCCNc1nccc(N)n1)Cc1ccccc1.
What is the InChIKey of 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine?
The InChIKey is PIAXOBJSPDGVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-20(12-13-6-3-2-4-7-13)11-5-9-17-15-18-10-8-14(16)19-15/h2-4,6-8,10H,5,9,11-12H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine?
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).