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

C12H13FN4 — CID 80801582

IUPAC4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N)n1)c1ccccc1F
InChIInChI=1S/C12H13FN4/c1-8(9-4-2-3-5-10(9)13)16-11-6-7-15-12(14)17-11/h2-8H,1H3,(H3,14,15,16,17)
InChIKeyIQZGEBWIGIUMLG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.37
Rot. Bonds3

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

4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80801582) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80801582
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N)n1)c1ccccc1F
InChIInChI=1S/C12H13FN4/c1-8(9-4-2-3-5-10(9)13)16-11-6-7-15-12(14)17-11/h2-8H,1H3,(H3,14,15,16,17)
InChIKeyIQZGEBWIGIUMLG-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
CID 83065720
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
CID 115473918
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 80801582) is 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is CC(Nc1ccnc(N)n1)c1ccccc1F.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is IQZGEBWIGIUMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8(9-4-2-3-5-10(9)13)16-11-6-7-15-12(14)17-11/h2-8H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 232.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80801582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).