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

C22H22N8O — CID 69112081

IUPAC6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C22H22N8O/c1-14-12-20(27-19-7-3-4-8-24-19)28-22(26-14)30-11-5-6-17(30)18-13-16(29-31-18)21-15(2)23-9-10-25-21/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,24,26,27,28)
InChIKeyOVSNXVUCPMLTLT-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.02
Rot. Bonds5

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

6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (PubChem CID 69112081) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-methyl-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-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
PubChem CID69112081
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1
InChIInChI=1S/C22H22N8O/c1-14-12-20(27-19-7-3-4-8-24-19)28-22(26-14)30-11-5-6-17(30)18-13-16(29-31-18)21-15(2)23-9-10-25-21/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,24,26,27,28)
InChIKeyOVSNXVUCPMLTLT-UHFFFAOYSA-N
XLogP4.02
TPSA105.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-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-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine (CID 69112081) is 6-methyl-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-methyl-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-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ccccn2)nc(N2CCCC2c2cc(-c3nccnc3C)no2)n1.
What is the InChIKey of 6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is OVSNXVUCPMLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-14-12-20(27-19-7-3-4-8-24-19)28-22(26-14)30-11-5-6-17(30)18-13-16(29-31-18)21-15(2)23-9-10-25-21/h3-4,7-10,12-13,17H,5-6,11H2,1-2H3,(H,24,26,27,28).
What are the key properties of 6-methyl-2-[2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine?
6-methyl-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 414.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-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 69112081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).