4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H18F3N5 — CID 114565467

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCN3CCCCC3C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)10-7-11(19-12(17)18-10)21-6-5-20-4-2-1-3-9(20)8-21/h7,9H,1-6,8H2,(H2,17,18,19)
InChIKeyVYYHYJBLYANTGC-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.75
Rot. Bonds1

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114565467) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114565467
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCN3CCCCC3C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N5/c14-13(15,16)10-7-11(19-12(17)18-10)21-6-5-20-4-2-1-3-9(20)8-21/h7,9H,1-6,8H2,(H2,17,18,19)
InChIKeyVYYHYJBLYANTGC-UHFFFAOYSA-N
XLogP1.75
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
CID 80929260
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 114562594
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 114565679
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720895
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563797
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562342
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114565467) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(N2CCN3CCCCC3C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VYYHYJBLYANTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c14-13(15,16)10-7-11(19-12(17)18-10)21-6-5-20-4-2-1-3-9(20)8-21/h7,9H,1-6,8H2,(H2,17,18,19).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114565467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).