4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

C16H12ClF3N4 — CID 14346978

IUPAC4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H11F3N4.ClH/c17-16(18,19)12-4-1-5-13(9-12)22-15-21-8-6-14(23-15)11-3-2-7-20-10-11;/h1-10H,(H,21,22,23);1H
InChIKeyUILYMVDVIAVJPF-UHFFFAOYSA-N
MW352.75 g/mol
LogP4.72
Rot. Bonds3

About 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride

4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (PubChem CID 14346978) has the molecular formula C16H12ClF3N4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
PubChem CID14346978
Molecular FormulaC16H12ClF3N4
Molecular Weight352.75 g/mol
Exact Mass352.07
IUPAC Name4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C16H11F3N4.ClH/c17-16(18,19)12-4-1-5-13(9-12)22-15-21-8-6-14(23-15)11-3-2-7-20-10-11;/h1-10H,(H,21,22,23);1H
InChIKeyUILYMVDVIAVJPF-UHFFFAOYSA-N
XLogP4.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride (CID 14346978) is 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is Cl.FC(F)(F)c1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
The InChIKey is UILYMVDVIAVJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4.ClH/c17-16(18,19)12-4-1-5-13(9-12)22-15-21-8-6-14(23-15)11-3-2-7-20-10-11;/h1-10H,(H,21,22,23);1H.
What are the key properties of 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride?
4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride has a molecular weight of 352.75 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 14346978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).