N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride

C7H9ClN4O — CID 136619208

IUPACN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride
SMILESC/C(Cl)=N\c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C7H9ClN4O/c1-3-5(11-4(2)8)6(13)12-7(9)10-3/h1-2H3,(H3,9,10,12,13)/b11-4+
InChIKeyQIFNAKFZIGLSHE-NYYWCZLTSA-N
MW200.63 g/mol
LogP0.95
Rot. Bonds1

About N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride

N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride (PubChem CID 136619208) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride.

Molecular Properties

Compound NameN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride
PubChem CID136619208
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC NameN-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride
SMILESC/C(Cl)=N\c1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C7H9ClN4O/c1-3-5(11-4(2)8)6(13)12-7(9)10-3/h1-2H3,(H3,9,10,12,13)/b11-4+
InChIKeyQIFNAKFZIGLSHE-NYYWCZLTSA-N
XLogP0.95
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride?
The IUPAC name of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride (CID 136619208) is N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride.
What is the SMILES notation for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride?
The canonical SMILES for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride is C/C(Cl)=N\c1c(C)nc(N)[nH]c1=O.
What is the InChIKey of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride?
The InChIKey is QIFNAKFZIGLSHE-NYYWCZLTSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-3-5(11-4(2)8)6(13)12-7(9)10-3/h1-2H3,(H3,9,10,12,13)/b11-4+.
What are the key properties of N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride?
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride has a molecular weight of 200.63 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)ethanimidoyl chloride is sourced from PubChem (CID 136619208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).