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

C16H27N5 — CID 80837228

IUPAC6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN3CCCCC3C2)c1CC
InChIInChI=1S/C16H27N5/c1-3-14-15(17-4-2)18-12-19-16(14)21-10-9-20-8-6-5-7-13(20)11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyREUBROHZSDLXPI-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.15
Rot. Bonds4

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

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine (PubChem CID 80837228) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
PubChem CID80837228
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCN3CCCCC3C2)c1CC
InChIInChI=1S/C16H27N5/c1-3-14-15(17-4-2)18-12-19-16(14)21-10-9-20-8-6-5-7-13(20)11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyREUBROHZSDLXPI-UHFFFAOYSA-N
XLogP2.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80854935
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propylpyrimidin-4-amine
CID 80854641
N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80833870
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine (CID 80837228) is 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(N2CCN3CCCCC3C2)c1CC.
What is the InChIKey of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is REUBROHZSDLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-14-15(17-4-2)18-12-19-16(14)21-10-9-20-8-6-5-7-13(20)11-21/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine?
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80837228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).