4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C14H19N5 — CID 64829706

IUPAC4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2ccccc2N)n1
InChIInChI=1S/C14H19N5/c1-18(2)14-16-9-8-13(17-14)19(3)10-11-6-4-5-7-12(11)15/h4-9H,10,15H2,1-3H3
InChIKeyJGENDRDXUBEMGI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.76
Rot. Bonds4

About 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 64829706) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID64829706
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)Cc2ccccc2N)n1
InChIInChI=1S/C14H19N5/c1-18(2)14-16-9-8-13(17-14)19(3)10-11-6-4-5-7-12(11)15/h4-9H,10,15H2,1-3H3
InChIKeyJGENDRDXUBEMGI-UHFFFAOYSA-N
XLogP1.76
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829899
3-[[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]methyl]benzenecarbothioamide
CID 64830250
2-N,2-N,4-N-trimethyl-4-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 75482243
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-methylpyrimidin-4-amine
CID 62771119
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894383
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 64829706) is 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)Cc2ccccc2N)n1.
What is the InChIKey of 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is JGENDRDXUBEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18(2)14-16-9-8-13(17-14)19(3)10-11-6-4-5-7-12(11)15/h4-9H,10,15H2,1-3H3.
What are the key properties of 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-aminophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).