6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C15H17F3N4 — CID 112855199

IUPAC6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H17F3N4/c1-2-3-8-19-13-9-14(21-10-20-13)22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21,22)
InChIKeyCMYROFXHCQSOCR-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.45
Rot. Bonds6

About 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 112855199) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID112855199
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C15H17F3N4/c1-2-3-8-19-13-9-14(21-10-20-13)22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21,22)
InChIKeyCMYROFXHCQSOCR-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'}

Analyze 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-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

6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
6-N-(3-methoxypropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112856959
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
4-N-(4-tert-butylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857465
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
4-N-(3,4-difluorophenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866617
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 112855199) is 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is CMYROFXHCQSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-2-3-8-19-13-9-14(21-10-20-13)22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-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 6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112855199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).