N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine

C12H14N4 — CID 61253794

IUPACN-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(N)c1)c1ccncn1
InChIInChI=1S/C12H14N4/c1-16(12-5-6-14-9-15-12)8-10-3-2-4-11(13)7-10/h2-7,9H,8,13H2,1H3
InChIKeyFUXWDFGXWAGSEY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.70
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine

N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 61253794) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID61253794
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(N)c1)c1ccncn1
InChIInChI=1S/C12H14N4/c1-16(12-5-6-14-9-15-12)8-10-3-2-4-11(13)7-10/h2-7,9H,8,13H2,1H3
InChIKeyFUXWDFGXWAGSEY-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
methyl 4-[(3-aminophenyl)methyl-methylamino]pyrimidine-2-carboxylate
CID 66286930
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
CID 115211873
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
CID 62332971

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine (CID 61253794) is N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine is CN(Cc1cccc(N)c1)c1ccncn1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is FUXWDFGXWAGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16(12-5-6-14-9-15-12)8-10-3-2-4-11(13)7-10/h2-7,9H,8,13H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine?
N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 214.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 61253794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).