N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine

C14H18N4O — CID 60875696

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(Cc1ccc(N)cc1)c1nccc(OC)n1
InChIInChI=1S/C14H18N4O/c1-3-18(10-11-4-6-12(15)7-5-11)14-16-9-8-13(17-14)19-2/h4-9H,3,10,15H2,1-2H3
InChIKeyAPFGHNLNSVZNNO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine

N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine (PubChem CID 60875696) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
PubChem CID60875696
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
SMILESCCN(Cc1ccc(N)cc1)c1nccc(OC)n1
InChIInChI=1S/C14H18N4O/c1-3-18(10-11-4-6-12(15)7-5-11)14-16-9-8-13(17-14)19-2/h4-9H,3,10,15H2,1-2H3
InChIKeyAPFGHNLNSVZNNO-UHFFFAOYSA-N
XLogP2.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine (CID 60875696) is N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine is CCN(Cc1ccc(N)cc1)c1nccc(OC)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?
The InChIKey is APFGHNLNSVZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(10-11-4-6-12(15)7-5-11)14-16-9-8-13(17-14)19-2/h4-9H,3,10,15H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine?
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 60875696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).