N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide

C10H14N4 — CID 142542959

IUPACN-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide
SMILESC=CN(/C(C)=N/C)c1cc(C)ncn1
InChIInChI=1S/C10H14N4/c1-5-14(9(3)11-4)10-6-8(2)12-7-13-10/h5-7H,1H2,2-4H3/b11-9+
InChIKeyBHHCDHUZAGLROR-PKNBQFBNSA-N
MW190.25 g/mol
LogP1.78
Rot. Bonds2

About N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide

N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide (PubChem CID 142542959) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide
PubChem CID142542959
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide
SMILESC=CN(/C(C)=N/C)c1cc(C)ncn1
InChIInChI=1S/C10H14N4/c1-5-14(9(3)11-4)10-6-8(2)12-7-13-10/h5-7H,1H2,2-4H3/b11-9+
InChIKeyBHHCDHUZAGLROR-PKNBQFBNSA-N
XLogP1.78
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide (CID 142542959) is N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide is C=CN(/C(C)=N/C)c1cc(C)ncn1.
What is the InChIKey of N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide?
The InChIKey is BHHCDHUZAGLROR-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N4/c1-5-14(9(3)11-4)10-6-8(2)12-7-13-10/h5-7H,1H2,2-4H3/b11-9+.
What are the key properties of N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide?
N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-N-(6-methylpyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 142542959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).