N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine

C16H19F3N6 — CID 56861058

IUPACN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N2CCC(Nc3ncccn3)CC2)n1
InChIInChI=1S/C16H19F3N6/c17-16(18,19)6-2-12-3-9-22-15(24-12)25-10-4-13(5-11-25)23-14-20-7-1-8-21-14/h1,3,7-9,13H,2,4-6,10-11H2,(H,20,21,23)
InChIKeyPTJJDEJGZOBAFJ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.84
Rot. Bonds5

About N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine

N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 56861058) has the molecular formula C16H19F3N6 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID56861058
Molecular FormulaC16H19F3N6
Molecular Weight352.36 g/mol
Exact Mass352.16
IUPAC NameN-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
SMILESFC(F)(F)CCc1ccnc(N2CCC(Nc3ncccn3)CC2)n1
InChIInChI=1S/C16H19F3N6/c17-16(18,19)6-2-12-3-9-22-15(24-12)25-10-4-13(5-11-25)23-14-20-7-1-8-21-14/h1,3,7-9,13H,2,4-6,10-11H2,(H,20,21,23)
InChIKeyPTJJDEJGZOBAFJ-UHFFFAOYSA-N
XLogP2.84
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine (CID 56861058) is N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine is FC(F)(F)CCc1ccnc(N2CCC(Nc3ncccn3)CC2)n1.
What is the InChIKey of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is PTJJDEJGZOBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6/c17-16(18,19)6-2-12-3-9-22-15(24-12)25-10-4-13(5-11-25)23-14-20-7-1-8-21-14/h1,3,7-9,13H,2,4-6,10-11H2,(H,20,21,23).
What are the key properties of N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine?
N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 352.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56861058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).