5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C12H12F2N4 — CID 80801900

IUPAC5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)c1cccc(F)c1
InChIInChI=1S/C12H12F2N4/c1-7(8-3-2-4-9(13)5-8)17-11-10(14)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18)
InChIKeyMLUWBJFIBSVBCU-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.51
Rot. Bonds3

About 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80801900) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80801900
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1F)c1cccc(F)c1
InChIInChI=1S/C12H12F2N4/c1-7(8-3-2-4-9(13)5-8)17-11-10(14)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18)
InChIKeyMLUWBJFIBSVBCU-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
4-N-[1-(3-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80801638
3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761800
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050
5-chloro-4-N-[1-(3-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 114285843
4-N-[1-(3-chlorophenyl)ethyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80783654
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 80801900) is 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1F)c1cccc(F)c1.
What is the InChIKey of 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MLUWBJFIBSVBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-7(8-3-2-4-9(13)5-8)17-11-10(14)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18).
What are the key properties of 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).