4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

C18H15F3N4 — CID 112890667

IUPAC4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2ccc(F)c(F)c2F)n1)c1ccccc1
InChIInChI=1S/C18H15F3N4/c1-11(12-5-3-2-4-6-12)23-15-9-10-22-18(25-15)24-14-8-7-13(19)16(20)17(14)21/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyOKMZIRFWVLNGFP-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.81
Rot. Bonds5

About 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112890667) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID112890667
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2ccc(F)c(F)c2F)n1)c1ccccc1
InChIInChI=1S/C18H15F3N4/c1-11(12-5-3-2-4-6-12)23-15-9-10-22-18(25-15)24-14-8-7-13(19)16(20)17(14)21/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyOKMZIRFWVLNGFP-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)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

2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112890645
4-N-(3-chloro-4-fluorophenyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904152
2-N-(4-chloro-2-methylphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904048
2-N,4-N-bis(3-amino-2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 22060331
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
4-N-[(3-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112890121
2,3,4-trifluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43192512
2-N-(4-bromophenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904489
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890634
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112899437
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904430

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (CID 112890667) is 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is CC(Nc1ccnc(Nc2ccc(F)c(F)c2F)n1)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is OKMZIRFWVLNGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c1-11(12-5-3-2-4-6-12)23-15-9-10-22-18(25-15)24-14-8-7-13(19)16(20)17(14)21/h2-11H,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 344.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).