N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C16H12F3N5 — CID 72709145

IUPACN-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ncccn2)c1
InChIInChI=1S/C16H12F3N5/c1-10-7-11(14-20-4-2-5-21-14)9-12(8-10)23-15-22-6-3-13(24-15)16(17,18)19/h2-9H,1H3,(H,22,23,24)
InChIKeyGBSGXWSEWKIDTB-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.00
Rot. Bonds3

About N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72709145) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72709145
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC NameN-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ncccn2)c1
InChIInChI=1S/C16H12F3N5/c1-10-7-11(14-20-4-2-5-21-14)9-12(8-10)23-15-22-6-3-13(24-15)16(17,18)19/h2-9H,1H3,(H,22,23,24)
InChIKeyGBSGXWSEWKIDTB-UHFFFAOYSA-N
XLogP4.00
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 72709145) is N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ncccn2)c1.
What is the InChIKey of N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GBSGXWSEWKIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c1-10-7-11(14-20-4-2-5-21-14)9-12(8-10)23-15-22-6-3-13(24-15)16(17,18)19/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 331.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-pyrimidin-2-ylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72709145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).