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

C15H25N5 — CID 80959998

IUPAC6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C15H25N5/c1-10(2)15-17-13(16)7-14(18-15)20-9-12-5-4-6-19(12)8-11(20)3/h7,10-12H,4-6,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyQLMNZBTWGLOEIB-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds2

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

6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80959998) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80959998
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC3CCCN3CC2C)n1
InChIInChI=1S/C15H25N5/c1-10(2)15-17-13(16)7-14(18-15)20-9-12-5-4-6-19(12)8-11(20)3/h7,10-12H,4-6,8-9H2,1-3H3,(H2,16,17,18)
InChIKeyQLMNZBTWGLOEIB-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968032
6-(3,4-dimethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958087
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80961686
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102716047
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
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
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198636
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-benzothiazol-6-amine
CID 79927660
6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80959998) is 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(N2CC3CCCN3CC2C)n1.
What is the InChIKey of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QLMNZBTWGLOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10(2)15-17-13(16)7-14(18-15)20-9-12-5-4-6-19(12)8-11(20)3/h7,10-12H,4-6,8-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80959998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).