5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C19H21N5O — CID 69103594

IUPAC5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNc1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C19H21N5O/c1-12(2)24-11-14(9-10-15(24)25)17-16(13-7-5-4-6-8-13)22-18(20)19(21-3)23-17/h4-12H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyIIBFGJHMJNKZOA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.18
Rot. Bonds4

About 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 69103594) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID69103594
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCNc1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccccc2)nc1N
InChIInChI=1S/C19H21N5O/c1-12(2)24-11-14(9-10-15(24)25)17-16(13-7-5-4-6-8-13)22-18(20)19(21-3)23-17/h4-12H,1-3H3,(H2,20,22)(H,21,23)
InChIKeyIIBFGJHMJNKZOA-UHFFFAOYSA-N
XLogP3.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 69103594) is 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CNc1nc(-c2ccc(=O)n(C(C)C)c2)c(-c2ccccc2)nc1N.
What is the InChIKey of 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is IIBFGJHMJNKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(2)24-11-14(9-10-15(24)25)17-16(13-7-5-4-6-8-13)22-18(20)19(21-3)23-17/h4-12H,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-(methylamino)-3-phenylpyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 69103594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).