6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine

C15H15F3N4 — CID 112856176

IUPAC6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCCCC3)ncn2)c(F)c1F
InChIInChI=1S/C15H15F3N4/c16-10-4-5-11(15(18)14(10)17)21-12-8-13(20-9-19-12)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,19,20,21)
InChIKeyJYAPMCCHRIFGDO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.63
Rot. Bonds3

About 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine

6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine (PubChem CID 112856176) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
PubChem CID112856176
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCCCC3)ncn2)c(F)c1F
InChIInChI=1S/C15H15F3N4/c16-10-4-5-11(15(18)14(10)17)21-12-8-13(20-9-19-12)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,19,20,21)
InChIKeyJYAPMCCHRIFGDO-UHFFFAOYSA-N
XLogP3.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282510
6-(azepan-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112864664
6-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856096
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine (CID 112856176) is 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine is Fc1ccc(Nc2cc(N3CCCCC3)ncn2)c(F)c1F.
What is the InChIKey of 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is JYAPMCCHRIFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-10-4-5-11(15(18)14(10)17)21-12-8-13(20-9-19-12)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,19,20,21).
What are the key properties of 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine?
6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 308.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 112856176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).