sodium;hydride;pyrimidin-4-yl acetate

C6H7N2NaO2 — CID 175470054

IUPACsodium;hydride;pyrimidin-4-yl acetate
SMILESCC(=O)Oc1ccncn1.[H-].[Na+]
InChIInChI=1S/C6H6N2O2.Na.H/c1-5(9)10-6-2-3-7-4-8-6;;/h2-4H,1H3;;/q;+1;-1
InChIKeyNBTIBTRXRHFYKY-UHFFFAOYSA-N
MW162.12 g/mol
LogP-2.48
Rot. Bonds1

About sodium;hydride;pyrimidin-4-yl acetate

sodium;hydride;pyrimidin-4-yl acetate (PubChem CID 175470054) has the molecular formula C6H7N2NaO2 and a molecular weight of 162.12 g/mol. Its IUPAC name is sodium;hydride;pyrimidin-4-yl acetate.

Molecular Properties

Compound Namesodium;hydride;pyrimidin-4-yl acetate
PubChem CID175470054
Molecular FormulaC6H7N2NaO2
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Namesodium;hydride;pyrimidin-4-yl acetate
SMILESCC(=O)Oc1ccncn1.[H-].[Na+]
InChIInChI=1S/C6H6N2O2.Na.H/c1-5(9)10-6-2-3-7-4-8-6;;/h2-4H,1H3;;/q;+1;-1
InChIKeyNBTIBTRXRHFYKY-UHFFFAOYSA-N
XLogP-2.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pyrimidin-4-yl acetate?
The IUPAC name of sodium;hydride;pyrimidin-4-yl acetate (CID 175470054) is sodium;hydride;pyrimidin-4-yl acetate.
What is the SMILES notation for sodium;hydride;pyrimidin-4-yl acetate?
The canonical SMILES for sodium;hydride;pyrimidin-4-yl acetate is CC(=O)Oc1ccncn1.[H-].[Na+].
What is the InChIKey of sodium;hydride;pyrimidin-4-yl acetate?
The InChIKey is NBTIBTRXRHFYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.Na.H/c1-5(9)10-6-2-3-7-4-8-6;;/h2-4H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;pyrimidin-4-yl acetate?
sodium;hydride;pyrimidin-4-yl acetate has a molecular weight of 162.12 g/mol, XLogP of -2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pyrimidin-4-yl acetate is sourced from PubChem (CID 175470054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).