6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C13H21N5S — CID 80854581

IUPAC6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN3CCCC3C2)nc(SC)n1
InChIInChI=1S/C13H21N5S/c1-14-11-8-12(16-13(15-11)19-2)18-7-6-17-5-3-4-10(17)9-18/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyWKIDPGLERICFLF-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.52
Rot. Bonds3

About 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80854581) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80854581
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN3CCCC3C2)nc(SC)n1
InChIInChI=1S/C13H21N5S/c1-14-11-8-12(16-13(15-11)19-2)18-7-6-17-5-3-4-10(17)9-18/h8,10H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyWKIDPGLERICFLF-UHFFFAOYSA-N
XLogP1.52
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80950038
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80834108
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80944630
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740
6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80819682
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80854581) is 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(N2CCN3CCCC3C2)nc(SC)n1.
What is the InChIKey of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is WKIDPGLERICFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-14-11-8-12(16-13(15-11)19-2)18-7-6-17-5-3-4-10(17)9-18/h8,10H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80854581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).