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

C11H8F3N3 — CID 3726914

IUPACN-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H,(H,15,16,17)
InChIKeyRUGWYEDURGIRHX-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.24
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 3726914) has the molecular formula C11H8F3N3 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID3726914
Molecular FormulaC11H8F3N3
Molecular Weight239.20 g/mol
Exact Mass239.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C11H8F3N3/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H,(H,15,16,17)
InChIKeyRUGWYEDURGIRHX-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinazoline
CID 9210
2-(Benzylamino)pyridine
CID 23362
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Quinazolin-2-amine
CID 519332
1-(4-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 848971
Quinazolin-7-amine
CID 16663769
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 3726914) is N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(Nc2ncccn2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is RUGWYEDURGIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3/c12-11(13,14)8-2-4-9(5-3-8)17-10-15-6-1-7-16-10/h1-7H,(H,15,16,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 239.20 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 3726914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).