3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile

C14H14N6O2 — CID 163345938

IUPAC3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cnc(OC2CCN(c3nccnc3C#N)C2)nc1
InChIInChI=1S/C14H14N6O2/c1-21-11-7-18-14(19-8-11)22-10-2-5-20(9-10)13-12(6-15)16-3-4-17-13/h3-4,7-8,10H,2,5,9H2,1H3
InChIKeyUQDZBOXVQGTIED-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.80
Rot. Bonds4

About 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile

3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 163345938) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID163345938
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cnc(OC2CCN(c3nccnc3C#N)C2)nc1
InChIInChI=1S/C14H14N6O2/c1-21-11-7-18-14(19-8-11)22-10-2-5-20(9-10)13-12(6-15)16-3-4-17-13/h3-4,7-8,10H,2,5,9H2,1H3
InChIKeyUQDZBOXVQGTIED-UHFFFAOYSA-N
XLogP0.80
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 163345938) is 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile is COc1cnc(OC2CCN(c3nccnc3C#N)C2)nc1.
What is the InChIKey of 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is UQDZBOXVQGTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-21-11-7-18-14(19-8-11)22-10-2-5-20(9-10)13-12(6-15)16-3-4-17-13/h3-4,7-8,10H,2,5,9H2,1H3.
What are the key properties of 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 163345938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).