2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide

C7H10N6O — CID 123549194

IUPAC2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide
SMILES[H]/N=C(\C(=O)NC)c1c(N)ncnc1N
InChIInChI=1S/C7H10N6O/c1-11-7(14)4(8)3-5(9)12-2-13-6(3)10/h2,8H,1H3,(H,11,14)(H4,9,10,12,13)/b8-4-
InChIKeyBAYWNOVYINIPAR-YWEYNIOJSA-N
MW194.20 g/mol
LogP-1.25
Rot. Bonds2

About 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide

2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide (PubChem CID 123549194) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide
PubChem CID123549194
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide
SMILES[H]/N=C(\C(=O)NC)c1c(N)ncnc1N
InChIInChI=1S/C7H10N6O/c1-11-7(14)4(8)3-5(9)12-2-13-6(3)10/h2,8H,1H3,(H,11,14)(H4,9,10,12,13)/b8-4-
InChIKeyBAYWNOVYINIPAR-YWEYNIOJSA-N
XLogP-1.25
TPSA130.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide (CID 123549194) is 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide is [H]/N=C(\C(=O)NC)c1c(N)ncnc1N.
What is the InChIKey of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide?
The InChIKey is BAYWNOVYINIPAR-YWEYNIOJSA-N. The full InChI is InChI=1S/C7H10N6O/c1-11-7(14)4(8)3-5(9)12-2-13-6(3)10/h2,8H,1H3,(H,11,14)(H4,9,10,12,13)/b8-4-.
What are the key properties of 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide?
2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide has a molecular weight of 194.20 g/mol, XLogP of -1.25, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-5-yl)-2-imino-N-methylacetamide is sourced from PubChem (CID 123549194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).