5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol

C13H15N3O2 — CID 62202667

IUPAC5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1O
InChIInChI=1S/C13H15N3O2/c1-7-8(2)15-13(16-12(7)14)9-4-5-11(18-3)10(17)6-9/h4-6,17H,1-3H3,(H2,14,15,16)
InChIKeyZVAMOSKYFSYAPZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.06
Rot. Bonds2

About 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol

5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol (PubChem CID 62202667) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
PubChem CID62202667
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol
SMILESCOc1ccc(-c2nc(C)c(C)c(N)n2)cc1O
InChIInChI=1S/C13H15N3O2/c1-7-8(2)15-13(16-12(7)14)9-4-5-11(18-3)10(17)6-9/h4-6,17H,1-3H3,(H2,14,15,16)
InChIKeyZVAMOSKYFSYAPZ-UHFFFAOYSA-N
XLogP2.06
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol?
The IUPAC name of 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol (CID 62202667) is 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol is COc1ccc(-c2nc(C)c(C)c(N)n2)cc1O.
What is the InChIKey of 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol?
The InChIKey is ZVAMOSKYFSYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-8(2)15-13(16-12(7)14)9-4-5-11(18-3)10(17)6-9/h4-6,17H,1-3H3,(H2,14,15,16).
What are the key properties of 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol?
5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol has a molecular weight of 245.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-5,6-dimethylpyrimidin-2-yl)-2-methoxyphenol is sourced from PubChem (CID 62202667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).