4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

C10H12ClF3N4 — CID 79033428

IUPAC4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H12ClF3N4/c11-7-5-8(17-9(15)16-7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyDUHKWALHYBFPAY-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.49
Rot. Bonds1

About 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 79033428) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID79033428
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H12ClF3N4/c11-7-5-8(17-9(15)16-7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17)
InChIKeyDUHKWALHYBFPAY-UHFFFAOYSA-N
XLogP2.49
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine (CID 79033428) is 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is DUHKWALHYBFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-7-5-8(17-9(15)16-7)18-3-1-6(2-4-18)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17).
What are the key properties of 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 280.68 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 79033428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).