6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C14H14F3N3 — CID 106769168

IUPAC6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3/c1-2-8-18-12-9-11(10-6-4-3-5-7-10)19-13(20-12)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20)
InChIKeyWOFHMINPIYMRIT-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.98
Rot. Bonds4

About 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769168) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769168
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3/c1-2-8-18-12-9-11(10-6-4-3-5-7-10)19-13(20-12)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20)
InChIKeyWOFHMINPIYMRIT-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-(3-methyl-4-pyridinyl)-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769597
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774883
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
6-(3-fluorophenyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716586
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769168) is 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WOFHMINPIYMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-8-18-12-9-11(10-6-4-3-5-7-10)19-13(20-12)14(15,16)17/h3-7,9H,2,8H2,1H3,(H,18,19,20).
What are the key properties of 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).