5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C14H15F3N4 — CID 80738120

IUPAC5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4/c1-2-4-11-12(18)19-8-20-13(11)21-10-6-3-5-9(7-10)14(15,16)17/h3,5-8H,2,4H2,1H3,(H3,18,19,20,21)
InChIKeyZKDPLMXLMHYALG-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.77
Rot. Bonds4

About 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 80738120) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID80738120
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N4/c1-2-4-11-12(18)19-8-20-13(11)21-10-6-3-5-9(7-10)14(15,16)17/h3,5-8H,2,4H2,1H3,(H3,18,19,20,21)
InChIKeyZKDPLMXLMHYALG-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544122
6-N-(4-fluorophenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148458
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
CID 107795065
6-N-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19138049
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148529
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22546443

Frequently Asked Questions

What is the IUPAC name of 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 80738120) is 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is ZKDPLMXLMHYALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-4-11-12(18)19-8-20-13(11)21-10-6-3-5-9(7-10)14(15,16)17/h3,5-8H,2,4H2,1H3,(H3,18,19,20,21).
What are the key properties of 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80738120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).