5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane

C15H23N3O — CID 142442120

IUPAC5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane
SMILESCC.CC.Cc1ccc(-c2cnc(N)nc2)cc1O
InChIInChI=1S/C11H11N3O.2C2H6/c1-7-2-3-8(4-10(7)15)9-5-13-11(12)14-6-9;2*1-2/h2-6,15H,1H3,(H2,12,13,14);2*1-2H3
InChIKeyPMBVVDIODJWJGA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.79
Rot. Bonds1

About 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane

5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane (PubChem CID 142442120) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane.

Molecular Properties

Compound Name5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane
PubChem CID142442120
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane
SMILESCC.CC.Cc1ccc(-c2cnc(N)nc2)cc1O
InChIInChI=1S/C11H11N3O.2C2H6/c1-7-2-3-8(4-10(7)15)9-5-13-11(12)14-6-9;2*1-2/h2-6,15H,1H3,(H2,12,13,14);2*1-2H3
InChIKeyPMBVVDIODJWJGA-UHFFFAOYSA-N
XLogP3.79
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane?
The IUPAC name of 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane (CID 142442120) is 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane.
What is the SMILES notation for 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane?
The canonical SMILES for 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane is CC.CC.Cc1ccc(-c2cnc(N)nc2)cc1O.
What is the InChIKey of 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane?
The InChIKey is PMBVVDIODJWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.2C2H6/c1-7-2-3-8(4-10(7)15)9-5-13-11(12)14-6-9;2*1-2/h2-6,15H,1H3,(H2,12,13,14);2*1-2H3.
What are the key properties of 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane?
5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane has a molecular weight of 261.37 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-5-yl)-2-methylphenol;ethane is sourced from PubChem (CID 142442120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).