N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine

C12H13FN4 — CID 65377912

IUPACN-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccncn1
InChIInChI=1S/C12H13FN4/c13-9-1-3-10(4-2-9)17-12(7-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7,14H2
InChIKeyHUNUUAPEKYGPAT-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.73
Rot. Bonds4

About N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine

N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 65377912) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID65377912
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESNCC(Nc1ccc(F)cc1)c1ccncn1
InChIInChI=1S/C12H13FN4/c13-9-1-3-10(4-2-9)17-12(7-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7,14H2
InChIKeyHUNUUAPEKYGPAT-UHFFFAOYSA-N
XLogP1.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine (CID 65377912) is N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine is NCC(Nc1ccc(F)cc1)c1ccncn1.
What is the InChIKey of N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is HUNUUAPEKYGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-9-1-3-10(4-2-9)17-12(7-14)11-5-6-15-8-16-11/h1-6,8,12,17H,7,14H2.
What are the key properties of N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine?
N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 232.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 65377912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).