N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine

C14H18N4 — CID 62958579

IUPACN-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H18N4/c1-10-7-8-16-14(17-10)18(3)11(2)12-5-4-6-13(15)9-12/h4-9,11H,15H2,1-3H3
InChIKeyWLOBHABNHOSTRT-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine

N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine (PubChem CID 62958579) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
PubChem CID62958579
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
SMILESCc1ccnc(N(C)C(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H18N4/c1-10-7-8-16-14(17-10)18(3)11(2)12-5-4-6-13(15)9-12/h4-9,11H,15H2,1-3H3
InChIKeyWLOBHABNHOSTRT-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.56
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-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine (CID 62958579) is N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine is Cc1ccnc(N(C)C(C)c2cccc(N)c2)n1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
The InChIKey is WLOBHABNHOSTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-7-8-16-14(17-10)18(3)11(2)12-5-4-6-13(15)9-12/h4-9,11H,15H2,1-3H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine?
N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 62958579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).