2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine

C19H17F3N4 — CID 112899437

IUPAC2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)c(F)c1F
InChIInChI=1S/C19H17F3N4/c20-14-8-9-15(18(22)17(14)21)25-16-10-12-24-19(26-16)23-11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-10,12H,4,7,11H2,(H2,23,24,25,26)
InChIKeyZKXOPKWZXMLMDY-UHFFFAOYSA-N
MW358.37 g/mol
LogP4.68
Rot. Bonds7

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

2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (PubChem CID 112899437) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
PubChem CID112899437
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
SMILESFc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)c(F)c1F
InChIInChI=1S/C19H17F3N4/c20-14-8-9-15(18(22)17(14)21)25-16-10-12-24-19(26-16)23-11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-10,12H,4,7,11H2,(H2,23,24,25,26)
InChIKeyZKXOPKWZXMLMDY-UHFFFAOYSA-N
XLogP4.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(3-phenylpropyl)-4-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

4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
4-N-(2-methoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899390
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-(4-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899361
4-N-(4-bromophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899388
ethyl 2-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899432
2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112894149
ethyl 4-[[2-(3-phenylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112899426
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
4-N-[(3-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112890121
2-N-(4-bromophenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904489

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine (CID 112899437) is 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is Fc1ccc(Nc2ccnc(NCCCc3ccccc3)n2)c(F)c1F.
What is the InChIKey of 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is ZKXOPKWZXMLMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c20-14-8-9-15(18(22)17(14)21)25-16-10-12-24-19(26-16)23-11-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-10,12H,4,7,11H2,(H2,23,24,25,26).
What are the key properties of 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine?
2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-phenylpropyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).