sodium 2-ethyl-1H-pyrimidin-6-one

C6H8N2NaO+ — CID 54606838

IUPACsodium 2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nccc(=O)[nH]1.[Na+]
InChIInChI=1S/C6H8N2O.Na/c1-2-5-7-4-3-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);/q;+1
InChIKeyXSYXLCMEZKSPFI-UHFFFAOYSA-N
MW147.13 g/mol
LogP-2.66
Rot. Bonds1

About sodium 2-ethyl-1H-pyrimidin-6-one

sodium 2-ethyl-1H-pyrimidin-6-one (PubChem CID 54606838) has the molecular formula C6H8N2NaO+ and a molecular weight of 147.13 g/mol. Its IUPAC name is sodium 2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Namesodium 2-ethyl-1H-pyrimidin-6-one
PubChem CID54606838
Molecular FormulaC6H8N2NaO+
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namesodium 2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nccc(=O)[nH]1.[Na+]
InChIInChI=1S/C6H8N2O.Na/c1-2-5-7-4-3-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);/q;+1
InChIKeyXSYXLCMEZKSPFI-UHFFFAOYSA-N
XLogP-2.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of sodium 2-ethyl-1H-pyrimidin-6-one (CID 54606838) is sodium 2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for sodium 2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for sodium 2-ethyl-1H-pyrimidin-6-one is CCc1nccc(=O)[nH]1.[Na+].
What is the InChIKey of sodium 2-ethyl-1H-pyrimidin-6-one?
The InChIKey is XSYXLCMEZKSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.Na/c1-2-5-7-4-3-6(9)8-5;/h3-4H,2H2,1H3,(H,7,8,9);/q;+1.
What are the key properties of sodium 2-ethyl-1H-pyrimidin-6-one?
sodium 2-ethyl-1H-pyrimidin-6-one has a molecular weight of 147.13 g/mol, XLogP of -2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 54606838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).