sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one

C4H8N5NaO — CID 175302913

IUPACsodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C4H7N5O.Na.H/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);;/q;+1;-1
InChIKeyYYJOBLJHRBTONL-UHFFFAOYSA-N
MW165.13 g/mol
LogP-4.37
Rot. Bonds

About sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one

sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one (PubChem CID 175302913) has the molecular formula C4H8N5NaO and a molecular weight of 165.13 g/mol. Its IUPAC name is sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one.

Molecular Properties

Compound Namesodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one
PubChem CID175302913
Molecular FormulaC4H8N5NaO
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Namesodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one
SMILESNc1nc(N)c(N)c(=O)[nH]1.[H-].[Na+]
InChIInChI=1S/C4H7N5O.Na.H/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);;/q;+1;-1
InChIKeyYYJOBLJHRBTONL-UHFFFAOYSA-N
XLogP-4.37
TPSA123.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 5-4.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one?
The IUPAC name of sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one (CID 175302913) is sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one.
What is the SMILES notation for sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one?
The canonical SMILES for sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one is Nc1nc(N)c(N)c(=O)[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one?
The InChIKey is YYJOBLJHRBTONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.Na.H/c5-1-2(6)8-4(7)9-3(1)10;;/h5H2,(H5,6,7,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one?
sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one has a molecular weight of 165.13 g/mol, XLogP of -4.37, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,4,5-triamino-1H-pyrimidin-6-one is sourced from PubChem (CID 175302913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).