N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

C17H16F3N5 — CID 171314948

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C17H16F3N5/c1-11-13(10-22-25(11)2)9-21-16-23-14(12-6-4-3-5-7-12)8-15(24-16)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,23,24)
InChIKeyYNOROGSTBRTNSE-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.82
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171314948) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171314948
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C17H16F3N5/c1-11-13(10-22-25(11)2)9-21-16-23-14(12-6-4-3-5-7-12)8-15(24-16)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,23,24)
InChIKeyYNOROGSTBRTNSE-UHFFFAOYSA-N
XLogP3.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821603
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106038126
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824552
4-(1,5-dimethylpyrazol-4-yl)-N-hexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44822001
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103858301
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103846358
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106041353
N-[(Z)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 124845821
4-(4-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 100981573
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
N-[(E)-(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 119056177
2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]guanidine
CID 12519366

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 171314948) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1c(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YNOROGSTBRTNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5/c1-11-13(10-22-25(11)2)9-21-16-23-14(12-6-4-3-5-7-12)8-15(24-16)17(18,19)20/h3-8,10H,9H2,1-2H3,(H,21,23,24).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 347.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171314948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).