4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine

C12H14FN5 — CID 80801904

IUPAC4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(N)nc(N)n1)c1cccc(F)c1
InChIInChI=1S/C12H14FN5/c1-7(8-3-2-4-9(13)5-8)16-11-6-10(14)17-12(15)18-11/h2-7H,1H3,(H5,14,15,16,17,18)
InChIKeyJGAFJMJFZYSTOI-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.95
Rot. Bonds3

About 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine

4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80801904) has the molecular formula C12H14FN5 and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80801904
Molecular FormulaC12H14FN5
Molecular Weight247.28 g/mol
Exact Mass247.12
IUPAC Name4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCC(Nc1cc(N)nc(N)n1)c1cccc(F)c1
InChIInChI=1S/C12H14FN5/c1-7(8-3-2-4-9(13)5-8)16-11-6-10(14)17-12(15)18-11/h2-7H,1H3,(H5,14,15,16,17,18)
InChIKeyJGAFJMJFZYSTOI-UHFFFAOYSA-N
XLogP1.95
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831253
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine (CID 80801904) is 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine is CC(Nc1cc(N)nc(N)n1)c1cccc(F)c1.
What is the InChIKey of 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is JGAFJMJFZYSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5/c1-7(8-3-2-4-9(13)5-8)16-11-6-10(14)17-12(15)18-11/h2-7H,1H3,(H5,14,15,16,17,18).
What are the key properties of 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine?
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 247.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80801904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).