2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide

C7H7Cl2N5 — CID 157238357

IUPAC2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2N5/c8-6-4(1-12-3-5(10)11)2-13-7(9)14-6/h1-2H,3H2,(H3,10,11)/b12-1+
InChIKeyKGKBSKJLXLKBPN-PCHRDZKRSA-N
MW232.07 g/mol
LogP1.14
Rot. Bonds3

About 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide

2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide (PubChem CID 157238357) has the molecular formula C7H7Cl2N5 and a molecular weight of 232.07 g/mol. Its IUPAC name is 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide.

Molecular Properties

Compound Name2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide
PubChem CID157238357
Molecular FormulaC7H7Cl2N5
Molecular Weight232.07 g/mol
Exact Mass231.01
IUPAC Name2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1cnc(Cl)nc1Cl
InChIInChI=1S/C7H7Cl2N5/c8-6-4(1-12-3-5(10)11)2-13-7(9)14-6/h1-2H,3H2,(H3,10,11)/b12-1+
InChIKeyKGKBSKJLXLKBPN-PCHRDZKRSA-N
XLogP1.14
TPSA88.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide?
The IUPAC name of 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide (CID 157238357) is 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide.
What is the SMILES notation for 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide?
The canonical SMILES for 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide is [H]/N=C(\N)C/N=C/c1cnc(Cl)nc1Cl.
What is the InChIKey of 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide?
The InChIKey is KGKBSKJLXLKBPN-PCHRDZKRSA-N. The full InChI is InChI=1S/C7H7Cl2N5/c8-6-4(1-12-3-5(10)11)2-13-7(9)14-6/h1-2H,3H2,(H3,10,11)/b12-1+.
What are the key properties of 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide?
2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide has a molecular weight of 232.07 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloropyrimidin-5-yl)methylideneamino]ethanimidamide is sourced from PubChem (CID 157238357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).