6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine

C15H15N7O — CID 59548402

IUPAC6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)cn1
InChIInChI=1S/C15H15N7O/c1-9-20-11(7-12(16)21-9)14-15(18-6-5-17-14)22-10-3-4-13(23-2)19-8-10/h3-8H,1-2H3,(H,18,22)(H2,16,20,21)
InChIKeyIFEHHBCJSIHKDR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.97
Rot. Bonds4

About 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine

6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 59548402) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine
PubChem CID59548402
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)cn1
InChIInChI=1S/C15H15N7O/c1-9-20-11(7-12(16)21-9)14-15(18-6-5-17-14)22-10-3-4-13(23-2)19-8-10/h3-8H,1-2H3,(H,18,22)(H2,16,20,21)
InChIKeyIFEHHBCJSIHKDR-UHFFFAOYSA-N
XLogP1.97
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine (CID 59548402) is 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine is COc1ccc(Nc2nccnc2-c2cc(N)nc(C)n2)cn1.
What is the InChIKey of 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is IFEHHBCJSIHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-9-20-11(7-12(16)21-9)14-15(18-6-5-17-14)22-10-3-4-13(23-2)19-8-10/h3-8H,1-2H3,(H,18,22)(H2,16,20,21).
What are the key properties of 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine?
6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 309.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(6-methoxy-3-pyridinyl)amino]pyrazin-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 59548402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).