pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

C17H20N6O2 — CID 95108044

IUPACpyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H20N6O2/c24-17(14-10-18-4-5-19-14)23-8-3-13(11-23)25-16-9-15(20-12-21-16)22-6-1-2-7-22/h4-5,9-10,12-13H,1-3,6-8,11H2/t13-/m0/s1
InChIKeyKXQRGIYIDPJEMC-ZDUSSCGKSA-N
MW340.39 g/mol
LogP1.16
Rot. Bonds4

About pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone

pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 95108044) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID95108044
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Namepyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H20N6O2/c24-17(14-10-18-4-5-19-14)23-8-3-13(11-23)25-16-9-15(20-12-21-16)22-6-1-2-7-22/h4-5,9-10,12-13H,1-3,6-8,11H2/t13-/m0/s1
InChIKeyKXQRGIYIDPJEMC-ZDUSSCGKSA-N
XLogP1.16
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95108089
[3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 71836800
(6-methyl-3-pyridinyl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185855
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864
pyrazin-2-yl-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129472960
N-cyclopentyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxamide
CID 53185867
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 91626934
[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108110
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 95108044) is pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is O=C(c1cnccn1)N1CC[C@H](Oc2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is KXQRGIYIDPJEMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-17(14-10-18-4-5-19-14)23-8-3-13(11-23)25-16-9-15(20-12-21-16)22-6-1-2-7-22/h4-5,9-10,12-13H,1-3,6-8,11H2/t13-/m0/s1.
What are the key properties of pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 95108044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).