ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate

C7H10N6O — CID 144810644

IUPACethanimidoyl 4,6-diaminopyrimidine-5-carboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])c1c(N)ncnc1N
InChIInChI=1S/C7H10N6O/c1-3(8)14-7(11)4-5(9)12-2-13-6(4)10/h2,8,11H,1H3,(H4,9,10,12,13)/b8-3+,11-7-
InChIKeyHAHXUMSESSHCJV-YZXVETGASA-N
MW194.20 g/mol
LogP-0.02
Rot. Bonds1

About ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate

ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate (PubChem CID 144810644) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate.

Molecular Properties

Compound Nameethanimidoyl 4,6-diaminopyrimidine-5-carboximidate
PubChem CID144810644
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Nameethanimidoyl 4,6-diaminopyrimidine-5-carboximidate
SMILES[H]/N=C(\O/C(C)=N/[H])c1c(N)ncnc1N
InChIInChI=1S/C7H10N6O/c1-3(8)14-7(11)4-5(9)12-2-13-6(4)10/h2,8,11H,1H3,(H4,9,10,12,13)/b8-3+,11-7-
InChIKeyHAHXUMSESSHCJV-YZXVETGASA-N
XLogP-0.02
TPSA134.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate?
The IUPAC name of ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate (CID 144810644) is ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate.
What is the SMILES notation for ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate?
The canonical SMILES for ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate is [H]/N=C(\O/C(C)=N/[H])c1c(N)ncnc1N.
What is the InChIKey of ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate?
The InChIKey is HAHXUMSESSHCJV-YZXVETGASA-N. The full InChI is InChI=1S/C7H10N6O/c1-3(8)14-7(11)4-5(9)12-2-13-6(4)10/h2,8,11H,1H3,(H4,9,10,12,13)/b8-3+,11-7-.
What are the key properties of ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate?
ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate has a molecular weight of 194.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 4,6-diaminopyrimidine-5-carboximidate is sourced from PubChem (CID 144810644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).