N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine

C15H24FN5 — CID 80837896

IUPACN-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C15H24FN5/c1-3-17-15-18-8-13(16)14(19-15)21-10-12-6-4-5-7-20(12)9-11(21)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyGZKPOWYAKZGUSD-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.11
Rot. Bonds3

About N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine (PubChem CID 80837896) has the molecular formula C15H24FN5 and a molecular weight of 293.39 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine
PubChem CID80837896
Molecular FormulaC15H24FN5
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CC3CCCCN3CC2C)n1
InChIInChI=1S/C15H24FN5/c1-3-17-15-18-8-13(16)14(19-15)21-10-12-6-4-5-7-20(12)9-11(21)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyGZKPOWYAKZGUSD-UHFFFAOYSA-N
XLogP2.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine with MolForge

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Related Compounds

2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943298
5-fluoro-4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80836408
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
4-(2,3-dimethylpiperidin-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80822054
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-ol
CID 80780024
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112
N-ethyl-2,5-dimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80838425
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine (CID 80837896) is N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine is CCNc1ncc(F)c(N2CC3CCCCN3CC2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine?
The InChIKey is GZKPOWYAKZGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5/c1-3-17-15-18-8-13(16)14(19-15)21-10-12-6-4-5-7-20(12)9-11(21)2/h8,11-12H,3-7,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine has a molecular weight of 293.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 80837896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).