N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine

C15H20N4 — CID 106511380

IUPACN'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nccc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-13-17-9-7-15(18-13)12-19(10-8-16)11-14-5-3-2-4-6-14/h2-7,9H,8,10-12,16H2,1H3
InChIKeyCCYNPIVUBRDRLU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.75
Rot. Bonds6

About N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine

N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 106511380) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID106511380
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nccc(CN(CCN)Cc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-13-17-9-7-15(18-13)12-19(10-8-16)11-14-5-3-2-4-6-14/h2-7,9H,8,10-12,16H2,1H3
InChIKeyCCYNPIVUBRDRLU-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-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

N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
CID 113328871
N,N'-dibenzyl-N-[3-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]propyl]-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 102022894
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine (CID 106511380) is N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine is Cc1nccc(CN(CCN)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is CCYNPIVUBRDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-17-9-7-15(18-13)12-19(10-8-16)11-14-5-3-2-4-6-14/h2-7,9H,8,10-12,16H2,1H3.
What are the key properties of N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 106511380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).