6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

C22H22N8O2 — CID 69107996

IUPAC6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C22H22N8O2/c1-14-21(25-10-9-23-14)15-12-17(32-29-15)16-6-5-11-30(16)22-27-19(13-20(28-22)31-2)26-18-7-3-4-8-24-18/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H,24,26,27,28)
InChIKeyZIXVRIWNQJODAC-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.72
Rot. Bonds6

About 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine

6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 69107996) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID69107996
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C22H22N8O2/c1-14-21(25-10-9-23-14)15-12-17(32-29-15)16-6-5-11-30(16)22-27-19(13-20(28-22)31-2)26-18-7-3-4-8-24-18/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H,24,26,27,28)
InChIKeyZIXVRIWNQJODAC-UHFFFAOYSA-N
XLogP3.72
TPSA114.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 69107996) is 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is COc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1.
What is the InChIKey of 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ZIXVRIWNQJODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-14-21(25-10-9-23-14)15-12-17(32-29-15)16-6-5-11-30(16)22-27-19(13-20(28-22)31-2)26-18-7-3-4-8-24-18/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H,24,26,27,28).
What are the key properties of 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 430.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 69107996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).