N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

C13H16N4 — CID 55154379

IUPACN-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)Cc2cccc(N)c2)n1
InChIInChI=1S/C13H16N4/c1-10-6-7-15-13(16-10)17(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3
InChIKeyLZBGFQCZTZLVFQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine

N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 55154379) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID55154379
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)Cc2cccc(N)c2)n1
InChIInChI=1S/C13H16N4/c1-10-6-7-15-13(16-10)17(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3
InChIKeyLZBGFQCZTZLVFQ-UHFFFAOYSA-N
XLogP2.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine (CID 55154379) is N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)Cc2cccc(N)c2)n1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is LZBGFQCZTZLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-6-7-15-13(16-10)17(2)9-11-4-3-5-12(14)8-11/h3-8H,9,14H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine?
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.00, 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,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 55154379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).