2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide

C8H12N6O — CID 123292900

IUPAC2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CNc1nc(N)ncc1C(C)=O
InChIInChI=1S/C8H12N6O/c1-4(15)5-2-13-8(11)14-7(5)12-3-6(9)10/h2H,3H2,1H3,(H3,9,10)(H3,11,12,13,14)
InChIKeyLQHNIJGVFUAYSW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.39
Rot. Bonds4

About 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide

2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide (PubChem CID 123292900) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide
PubChem CID123292900
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CNc1nc(N)ncc1C(C)=O
InChIInChI=1S/C8H12N6O/c1-4(15)5-2-13-8(11)14-7(5)12-3-6(9)10/h2H,3H2,1H3,(H3,9,10)(H3,11,12,13,14)
InChIKeyLQHNIJGVFUAYSW-UHFFFAOYSA-N
XLogP-0.39
TPSA130.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide?
The IUPAC name of 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide (CID 123292900) is 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide.
What is the SMILES notation for 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide?
The canonical SMILES for 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide is [H]/N=C(\N)CNc1nc(N)ncc1C(C)=O.
What is the InChIKey of 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide?
The InChIKey is LQHNIJGVFUAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(15)5-2-13-8(11)14-7(5)12-3-6(9)10/h2H,3H2,1H3,(H3,9,10)(H3,11,12,13,14).
What are the key properties of 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide?
2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide has a molecular weight of 208.22 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-aminopyrimidin-4-yl)amino]ethanimidamide is sourced from PubChem (CID 123292900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).