N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine

C15H16F3N5 — CID 141399085

IUPACN-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(C3CCNCC3)nc2)nc1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-7-21-14(22-8-11)23-12-1-2-13(20-9-12)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H,21,22,23)
InChIKeySROGDIWFBJTLJR-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.10
Rot. Bonds3

About N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 141399085) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID141399085
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC NameN-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(C3CCNCC3)nc2)nc1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)11-7-21-14(22-8-11)23-12-1-2-13(20-9-12)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H,21,22,23)
InChIKeySROGDIWFBJTLJR-UHFFFAOYSA-N
XLogP3.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 141399085) is N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(Nc2ccc(C3CCNCC3)nc2)nc1.
What is the InChIKey of N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SROGDIWFBJTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c16-15(17,18)11-7-21-14(22-8-11)23-12-1-2-13(20-9-12)10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H,21,22,23).
What are the key properties of N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 323.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 141399085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).