N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C13H17F3N4 — CID 126851873

IUPACN-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CCNCC2)C2CC2)ncn1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-7-12(19-8-18-11)20(9-1-2-9)10-3-5-17-6-4-10/h7-10,17H,1-6H2
InChIKeyUKCNSVLURCRXNE-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.22
Rot. Bonds3

About N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126851873) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126851873
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(N(C2CCNCC2)C2CC2)ncn1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)11-7-12(19-8-18-11)20(9-1-2-9)10-3-5-17-6-4-10/h7-10,17H,1-6H2
InChIKeyUKCNSVLURCRXNE-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 126851873) is N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(N(C2CCNCC2)C2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UKCNSVLURCRXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)11-7-12(19-8-18-11)20(9-1-2-9)10-3-5-17-6-4-10/h7-10,17H,1-6H2.
What are the key properties of N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126851873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).