2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol

C14H12N4O2S — CID 725567

IUPAC2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2cscn2)c(O)c1
InChIInChI=1S/C14H12N4O2S/c1-20-8-2-3-9(12(19)4-8)13-10(5-16-14(15)18-13)11-6-21-7-17-11/h2-7,19H,1H3,(H2,15,16,18)
InChIKeyQHBJKNUXVCHEOY-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.56
Rot. Bonds3

About 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol

2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (PubChem CID 725567) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
PubChem CID725567
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol
SMILESCOc1ccc(-c2nc(N)ncc2-c2cscn2)c(O)c1
InChIInChI=1S/C14H12N4O2S/c1-20-8-2-3-9(12(19)4-8)13-10(5-16-14(15)18-13)11-6-21-7-17-11/h2-7,19H,1H3,(H2,15,16,18)
InChIKeyQHBJKNUXVCHEOY-UHFFFAOYSA-N
XLogP2.56
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol (CID 725567) is 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is COc1ccc(-c2nc(N)ncc2-c2cscn2)c(O)c1.
What is the InChIKey of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
The InChIKey is QHBJKNUXVCHEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-20-8-2-3-9(12(19)4-8)13-10(5-16-14(15)18-13)11-6-21-7-17-11/h2-7,19H,1H3,(H2,15,16,18).
What are the key properties of 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol?
2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol has a molecular weight of 300.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxyphenol is sourced from PubChem (CID 725567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).