6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine

C15H24N4O — CID 80811776

IUPAC6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCOC2CCCCC21
InChIInChI=1S/C15H24N4O/c1-3-11-14(16-2)17-10-18-15(11)19-8-9-20-13-7-5-4-6-12(13)19/h10,12-13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyYXGFLLUVZBEFIS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds3

About 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80811776) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80811776
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCOC2CCCCC21
InChIInChI=1S/C15H24N4O/c1-3-11-14(16-2)17-10-18-15(11)19-8-9-20-13-7-5-4-6-12(13)19/h10,12-13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyYXGFLLUVZBEFIS-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80791082
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780914
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
1-(6-chloro-5-ethylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750250
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80836987
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
[4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 81217134
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine (CID 80811776) is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1N1CCOC2CCCCC21.
What is the InChIKey of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is YXGFLLUVZBEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-11-14(16-2)17-10-18-15(11)19-8-9-20-13-7-5-4-6-12(13)19/h10,12-13H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80811776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).