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

C12H12F2N4 — CID 80785277

IUPAC5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12F2N4/c13-9-3-1-8(2-4-9)5-6-16-11-10(14)7-17-12(15)18-11/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeyAPKTZKSGWNTCHW-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.99
Rot. Bonds4

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

5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80785277) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80785277
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C12H12F2N4/c13-9-3-1-8(2-4-9)5-6-16-11-10(14)7-17-12(15)18-11/h1-4,7H,5-6H2,(H3,15,16,17,18)
InChIKeyAPKTZKSGWNTCHW-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4-N-[2-(4-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

4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
N-[2-(4-bromophenyl)ethyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 87926310
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388727
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
CID 80827312

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 80785277) is 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is Nc1ncc(F)c(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is APKTZKSGWNTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c13-9-3-1-8(2-4-9)5-6-16-11-10(14)7-17-12(15)18-11/h1-4,7H,5-6H2,(H3,15,16,17,18).
What are the key properties of 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 250.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80785277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).