4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol

C14H10ClN5O — CID 137430604

IUPAC4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol
SMILESNc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncccn2)n1
InChIInChI=1S/C14H10ClN5O/c15-9-6-8(2-3-10(9)21)12-13(20-11(16)7-19-12)14-17-4-1-5-18-14/h1-7,21H,(H2,16,20)
InChIKeyLKSLOXUPIBCBMU-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.54
Rot. Bonds2

About 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol

4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol (PubChem CID 137430604) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol.

Molecular Properties

Compound Name4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol
PubChem CID137430604
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol
SMILESNc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncccn2)n1
InChIInChI=1S/C14H10ClN5O/c15-9-6-8(2-3-10(9)21)12-13(20-11(16)7-19-12)14-17-4-1-5-18-14/h1-7,21H,(H2,16,20)
InChIKeyLKSLOXUPIBCBMU-UHFFFAOYSA-N
XLogP2.54
TPSA97.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol?
The IUPAC name of 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol (CID 137430604) is 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol.
What is the SMILES notation for 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol?
The canonical SMILES for 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol is Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ncccn2)n1.
What is the InChIKey of 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol?
The InChIKey is LKSLOXUPIBCBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-9-6-8(2-3-10(9)21)12-13(20-11(16)7-19-12)14-17-4-1-5-18-14/h1-7,21H,(H2,16,20).
What are the key properties of 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol?
4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol has a molecular weight of 299.72 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyrimidin-2-ylpyrazin-2-yl)-2-chlorophenol is sourced from PubChem (CID 137430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).