sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide

C7H10N4NaO+ — CID 54608736

IUPACsodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
SMILESCN(C)/C=N\c1ccnc(=O)[nH]1.[Na+]
InChIInChI=1S/C7H10N4O.Na/c1-11(2)5-9-6-3-4-8-7(12)10-6;/h3-5H,1-2H3,(H,8,10,12);/q;+1/b9-5-;
InChIKeyPDCUMRCEZLVPBY-UYTGOYFPSA-N
MW189.17 g/mol
LogP-3.00
Rot. Bonds2

About sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide

sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide (PubChem CID 54608736) has the molecular formula C7H10N4NaO+ and a molecular weight of 189.17 g/mol. Its IUPAC name is sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide.

Molecular Properties

Compound Namesodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
PubChem CID54608736
Molecular FormulaC7H10N4NaO+
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namesodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
SMILESCN(C)/C=N\c1ccnc(=O)[nH]1.[Na+]
InChIInChI=1S/C7H10N4O.Na/c1-11(2)5-9-6-3-4-8-7(12)10-6;/h3-5H,1-2H3,(H,8,10,12);/q;+1/b9-5-;
InChIKeyPDCUMRCEZLVPBY-UYTGOYFPSA-N
XLogP-3.00
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The IUPAC name of sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide (CID 54608736) is sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide.
What is the SMILES notation for sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The canonical SMILES for sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide is CN(C)/C=N\c1ccnc(=O)[nH]1.[Na+].
What is the InChIKey of sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The InChIKey is PDCUMRCEZLVPBY-UYTGOYFPSA-N. The full InChI is InChI=1S/C7H10N4O.Na/c1-11(2)5-9-6-3-4-8-7(12)10-6;/h3-5H,1-2H3,(H,8,10,12);/q;+1/b9-5-;.
What are the key properties of sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide has a molecular weight of 189.17 g/mol, XLogP of -3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide is sourced from PubChem (CID 54608736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).