6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine

C17H17N5O — CID 101496786

IUPAC6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCOc1cc(C)c(-c2cc(N)nc(-c3cnccn3)n2)c(C)c1
InChIInChI=1S/C17H17N5O/c1-10-6-12(23-3)7-11(2)16(10)13-8-15(18)22-17(21-13)14-9-19-4-5-20-14/h4-9H,1-3H3,(H2,18,21,22)
InChIKeyLSULRDVGOTXLML-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.81
Rot. Bonds3

About 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine

6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 101496786) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine
PubChem CID101496786
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine
SMILESCOc1cc(C)c(-c2cc(N)nc(-c3cnccn3)n2)c(C)c1
InChIInChI=1S/C17H17N5O/c1-10-6-12(23-3)7-11(2)16(10)13-8-15(18)22-17(21-13)14-9-19-4-5-20-14/h4-9H,1-3H3,(H2,18,21,22)
InChIKeyLSULRDVGOTXLML-UHFFFAOYSA-N
XLogP2.81
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine (CID 101496786) is 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine is COc1cc(C)c(-c2cc(N)nc(-c3cnccn3)n2)c(C)c1.
What is the InChIKey of 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is LSULRDVGOTXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-6-12(23-3)7-11(2)16(10)13-8-15(18)22-17(21-13)14-9-19-4-5-20-14/h4-9H,1-3H3,(H2,18,21,22).
What are the key properties of 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine?
6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 101496786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).