N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine

C15H20N4 — CID 102536498

IUPACN-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12-10-13(2)19-15(18-12)17-9-8-16-11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyCZFWXHMRCHNXJI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.30
Rot. Bonds6

About N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine

N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 102536498) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID102536498
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C)nc(NCCNCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-12-10-13(2)19-15(18-12)17-9-8-16-11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,17,18,19)
InChIKeyCZFWXHMRCHNXJI-UHFFFAOYSA-N
XLogP2.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 102536508
N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 102536553
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112915465
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
N-benzyl-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102925922
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine (CID 102536498) is N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine is Cc1cc(C)nc(NCCNCc2ccccc2)n1.
What is the InChIKey of N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is CZFWXHMRCHNXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12-10-13(2)19-15(18-12)17-9-8-16-11-14-6-4-3-5-7-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine?
N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102536498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).