N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C13H19F3N4 — CID 142493201

IUPACN-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCc1cncnc1NC1CCNCC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)5-1-2-10-8-18-9-19-12(10)20-11-3-6-17-7-4-11/h8-9,11,17H,1-7H2,(H,18,19,20)
InChIKeyJKKXAFVWKRBZML-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.53
Rot. Bonds5

About N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine

N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 142493201) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID142493201
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESFC(F)(F)CCCc1cncnc1NC1CCNCC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)5-1-2-10-8-18-9-19-12(10)20-11-3-6-17-7-4-11/h8-9,11,17H,1-7H2,(H,18,19,20)
InChIKeyJKKXAFVWKRBZML-UHFFFAOYSA-N
XLogP2.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 142493201) is N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine is FC(F)(F)CCCc1cncnc1NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is JKKXAFVWKRBZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)5-1-2-10-8-18-9-19-12(10)20-11-3-6-17-7-4-11/h8-9,11,17H,1-7H2,(H,18,19,20).
What are the key properties of N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 288.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 142493201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).