N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine

C13H15FN4 — CID 113432149

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCN(Cc1ccccc1N)c1ncc(F)cn1
InChIInChI=1S/C13H15FN4/c1-2-18(13-16-7-11(14)8-17-13)9-10-5-3-4-6-12(10)15/h3-8H,2,9,15H2,1H3
InChIKeyLLWGVCXHHHPJCJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.22
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine

N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 113432149) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
PubChem CID113432149
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
SMILESCCN(Cc1ccccc1N)c1ncc(F)cn1
InChIInChI=1S/C13H15FN4/c1-2-18(13-16-7-11(14)8-17-13)9-10-5-3-4-6-12(10)15/h3-8H,2,9,15H2,1H3
InChIKeyLLWGVCXHHHPJCJ-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.22
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-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787292
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 60875517
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
2-[[(3,5-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 105404018
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385
N-[(2-aminophenyl)methyl]-N-ethylquinolin-2-amine
CID 60875708
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine (CID 113432149) is N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine is CCN(Cc1ccccc1N)c1ncc(F)cn1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is LLWGVCXHHHPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-2-18(13-16-7-11(14)8-17-13)9-10-5-3-4-6-12(10)15/h3-8H,2,9,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine?
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 113432149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).