6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one

C11H11ClN4O — CID 122154068

IUPAC6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one
SMILESCC(C)c1cc(-n2c(Cl)cncc2=O)ncn1
InChIInChI=1S/C11H11ClN4O/c1-7(2)8-3-10(15-6-14-8)16-9(12)4-13-5-11(16)17/h3-7H,1-2H3
InChIKeyATJMXYVCZNPRSF-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.80
Rot. Bonds2

About 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one

6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one (PubChem CID 122154068) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one
PubChem CID122154068
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one
SMILESCC(C)c1cc(-n2c(Cl)cncc2=O)ncn1
InChIInChI=1S/C11H11ClN4O/c1-7(2)8-3-10(15-6-14-8)16-9(12)4-13-5-11(16)17/h3-7H,1-2H3
InChIKeyATJMXYVCZNPRSF-UHFFFAOYSA-N
XLogP1.80
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one?
The IUPAC name of 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one (CID 122154068) is 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one.
What is the SMILES notation for 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one?
The canonical SMILES for 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one is CC(C)c1cc(-n2c(Cl)cncc2=O)ncn1.
What is the InChIKey of 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one?
The InChIKey is ATJMXYVCZNPRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7(2)8-3-10(15-6-14-8)16-9(12)4-13-5-11(16)17/h3-7H,1-2H3.
What are the key properties of 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one?
6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one has a molecular weight of 250.69 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(6-propan-2-ylpyrimidin-4-yl)pyrazin-2-one is sourced from PubChem (CID 122154068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).