N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C20H18F3N3 — CID 143320872

IUPACN-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C20H18F3N3/c1-2-5-14-6-3-4-7-17(14)26-19-12-18(24-13-25-19)15-8-10-16(11-9-15)20(21,22)23/h3-4,6-13H,2,5H2,1H3,(H,24,25,26)
InChIKeyLVDQFDXQPBDHMN-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.86
Rot. Bonds5

About N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 143320872) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID143320872
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC NameN-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1
InChIInChI=1S/C20H18F3N3/c1-2-5-14-6-3-4-7-17(14)26-19-12-18(24-13-25-19)15-8-10-16(11-9-15)20(21,22)23/h3-4,6-13H,2,5H2,1H3,(H,24,25,26)
InChIKeyLVDQFDXQPBDHMN-UHFFFAOYSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 10381898
1-[2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]butan-1-ol
CID 143320878
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N-(2-propylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771302
7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid
CID 22135510
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557
1-[2-[[6-[2-(cyclopropylmethylamino)-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]propan-2-ol
CID 143320791
6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350757
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199

Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 143320872) is N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is CCCc1ccccc1Nc1cc(-c2ccc(C(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is LVDQFDXQPBDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c1-2-5-14-6-3-4-7-17(14)26-19-12-18(24-13-25-19)15-8-10-16(11-9-15)20(21,22)23/h3-4,6-13H,2,5H2,1H3,(H,24,25,26).
What are the key properties of N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 357.38 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 143320872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).