[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone

C17H20N6O — CID 110138887

IUPAC[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
SMILESCN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21
InChIInChI=1S/C17H20N6O/c1-22(16-8-18-6-7-20-16)15-3-2-12-9-23(10-13(12)15)17(24)14-4-5-19-11-21-14/h4-8,11-13,15H,2-3,9-10H2,1H3/t12-,13+,15-/m1/s1
InChIKeyMOXPLXFFCZHNMW-VNHYZAJKSA-N
MW324.39 g/mol
LogP1.25
Rot. Bonds3

About [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone

[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone (PubChem CID 110138887) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
PubChem CID110138887
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
SMILESCN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21
InChIInChI=1S/C17H20N6O/c1-22(16-8-18-6-7-20-16)15-3-2-12-9-23(10-13(12)15)17(24)14-4-5-19-11-21-14/h4-8,11-13,15H,2-3,9-10H2,1H3/t12-,13+,15-/m1/s1
InChIKeyMOXPLXFFCZHNMW-VNHYZAJKSA-N
XLogP1.25
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[(3aR,4R,6aS)-4-[methyl-(6-methylpyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrazin-2-ylmethanone
CID 110139103
[(3aR,4S,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 175657714
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110138881
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 110138969
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 110139014
1-[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 110138974
2-[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 110138915
(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
CID 110138938
[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 110139155
(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 110138903
[(4aS,8R,8aS)-8-[methyl(propan-2-yl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-pyrimidin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155869215
[(3aR,4R,6aS)-4-[methyl-(6-methylpyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 110139153

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone (CID 110138887) is [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone is CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)c3ccncn3)C[C@@H]21.
What is the InChIKey of [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
The InChIKey is MOXPLXFFCZHNMW-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22(16-8-18-6-7-20-16)15-3-2-12-9-23(10-13(12)15)17(24)14-4-5-19-11-21-14/h4-8,11-13,15H,2-3,9-10H2,1H3/t12-,13+,15-/m1/s1.
What are the key properties of [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone?
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone has a molecular weight of 324.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 110138887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).