4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C15H17F3N4 — CID 112882930

IUPAC4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4/c1-2-3-9-19-13-8-10-20-14(22-13)21-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,2-3,9H2,1H3,(H2,19,20,21,22)
InChIKeyUOIVSTGYXJGOAE-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.45
Rot. Bonds6

About 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112882930) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112882930
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCCCNc1ccnc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4/c1-2-3-9-19-13-8-10-20-14(22-13)21-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,2-3,9H2,1H3,(H2,19,20,21,22)
InChIKeyUOIVSTGYXJGOAE-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
4-N-butyl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882941
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112901412
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112885487
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-N-(3,4-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902557
2-N-butyl-4-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112883125
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-pentylpyrimidine-2,4-diamine
CID 112900400
2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112894149
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886080

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112882930) is 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCCCNc1ccnc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is UOIVSTGYXJGOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-2-3-9-19-13-8-10-20-14(22-13)21-12-7-5-4-6-11(12)15(16,17)18/h4-8,10H,2-3,9H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 310.32 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112882930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).