2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol

C17H15N3OS — CID 135960807

IUPAC2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol
SMILESCSc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C17H15N3OS/c1-22-12-8-6-11(7-9-12)14-10-19-17(18)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyOEEKEIDVESVSMC-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.82
Rot. Bonds3

About 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol (PubChem CID 135960807) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol
PubChem CID135960807
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol
SMILESCSc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C17H15N3OS/c1-22-12-8-6-11(7-9-12)14-10-19-17(18)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H2,18,19,20)
InChIKeyOEEKEIDVESVSMC-UHFFFAOYSA-N
XLogP3.82
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol (CID 135960807) is 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol is CSc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol?
The InChIKey is OEEKEIDVESVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-22-12-8-6-11(7-9-12)14-10-19-17(18)20-16(14)13-4-2-3-5-15(13)21/h2-10,21H,1H3,(H2,18,19,20).
What are the key properties of 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol has a molecular weight of 309.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-methylsulfanylphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).