N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

C14H21F3N4 — CID 80829962

IUPACN-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CCCC(C(F)(F)F)C2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-18-12-9(2)13(20-10(3)19-12)21-7-5-6-11(8-21)14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyACHQATBEDPPSQA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.30
Rot. Bonds3

About N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 80829962) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID80829962
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CCCC(C(F)(F)F)C2)c1C
InChIInChI=1S/C14H21F3N4/c1-4-18-12-9(2)13(20-10(3)19-12)21-7-5-6-11(8-21)14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyACHQATBEDPPSQA-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine (CID 80829962) is N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is CCNc1nc(C)nc(N2CCCC(C(F)(F)F)C2)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ACHQATBEDPPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-4-18-12-9(2)13(20-10(3)19-12)21-7-5-6-11(8-21)14(15,16)17/h11H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80829962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).