1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone

C11H17N5O2 — CID 170364307

IUPAC1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCOc1nc(N)cnc1N[C@@H]1CCN(C(C)=O)C1
InChIInChI=1S/C11H17N5O2/c1-7(17)16-4-3-8(6-16)14-10-11(18-2)15-9(12)5-13-10/h5,8H,3-4,6H2,1-2H3,(H2,12,15)(H,13,14)/t8-/m1/s1
InChIKeyLGIMZYBDNNUVLS-MRVPVSSYSA-N
MW251.29 g/mol
LogP0.10
Rot. Bonds3

About 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 170364307) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID170364307
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCOc1nc(N)cnc1N[C@@H]1CCN(C(C)=O)C1
InChIInChI=1S/C11H17N5O2/c1-7(17)16-4-3-8(6-16)14-10-11(18-2)15-9(12)5-13-10/h5,8H,3-4,6H2,1-2H3,(H2,12,15)(H,13,14)/t8-/m1/s1
InChIKeyLGIMZYBDNNUVLS-MRVPVSSYSA-N
XLogP0.10
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

tert-butyl 3-[(5-bromo-3-methoxypyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 167350845
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804
methyl 6-[(1-acetylpyrrolidin-3-yl)amino]-2-methylpyridine-3-carboxylate
CID 133420318
2-[(3S)-3-[(5-bromo-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethenone
CID 175417525
(5-amino-2-pyridinyl)-[(3R)-3-[(5-chloro-4-methoxypyrimidin-2-yl)amino]pyrrolidin-1-yl]methanone
CID 147235702
(3R)-3-[(5-cyano-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 175107921
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[3-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 75390795
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 53185554

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone (CID 170364307) is 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone is COc1nc(N)cnc1N[C@@H]1CCN(C(C)=O)C1.
What is the InChIKey of 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is LGIMZYBDNNUVLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(17)16-4-3-8(6-16)14-10-11(18-2)15-9(12)5-13-10/h5,8H,3-4,6H2,1-2H3,(H2,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(5-amino-3-methoxypyrazin-2-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 170364307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).