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

C16H27N5 — CID 80837323

IUPAC6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CC2CCCCN2CC1C
InChIInChI=1S/C16H27N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13-6-4-5-7-20(13)8-12(21)3/h10-13H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyQDEQFBGSKCVCCL-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.25
Rot. Bonds2

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

6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80837323) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80837323
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1N1CC2CCCCN2CC1C
InChIInChI=1S/C16H27N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13-6-4-5-7-20(13)8-12(21)3/h10-13H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyQDEQFBGSKCVCCL-UHFFFAOYSA-N
XLogP2.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(2,5-dimethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80846958
2-[1-(6-amino-5-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80767375
2-(3-chloropyrazin-2-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925406
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
2-(6-fluoropyrimidin-4-yl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115417184
6-(3,4-dimethylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80834520
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-propan-2-ylpyrimidin-4-amine
CID 80825349
5-methyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940906
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729
2-[3-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935024
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683982
5-amino-6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxamide
CID 114407032

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80837323) is 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1N1CC2CCCCN2CC1C.
What is the InChIKey of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QDEQFBGSKCVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13-6-4-5-7-20(13)8-12(21)3/h10-13H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80837323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).