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

C10H13F3N4 — CID 67257162

IUPAC2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C2CCCNC2)ncc1C(F)(F)F
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(17-8(7)14)6-2-1-3-15-4-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyBSVRVFJBQLRHAM-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.54
Rot. Bonds1

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

2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 67257162) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID67257162
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(C2CCCNC2)ncc1C(F)(F)F
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(17-8(7)14)6-2-1-3-15-4-6/h5-6,15H,1-4H2,(H2,14,16,17)
InChIKeyBSVRVFJBQLRHAM-UHFFFAOYSA-N
XLogP1.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine (CID 67257162) is 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(C2CCCNC2)ncc1C(F)(F)F.
What is the InChIKey of 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BSVRVFJBQLRHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-5-16-9(17-8(7)14)6-2-1-3-15-4-6/h5-6,15H,1-4H2,(H2,14,16,17).
What are the key properties of 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine?
2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 246.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 67257162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).