N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide

C10H16N4O — CID 54259999

IUPACN'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/N=C(\C)Nc1nc(=O)n(C)c(C)c1C
InChIInChI=1S/C10H16N4O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4/h1-5H3,(H,11,12,13,15)
InChIKeyHQIBPUUPGZOIHT-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds1

About N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide

N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide (PubChem CID 54259999) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
PubChem CID54259999
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/N=C(\C)Nc1nc(=O)n(C)c(C)c1C
InChIInChI=1S/C10H16N4O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4/h1-5H3,(H,11,12,13,15)
InChIKeyHQIBPUUPGZOIHT-UHFFFAOYSA-N
XLogP0.86
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
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 N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide (CID 54259999) is N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide is C/N=C(\C)Nc1nc(=O)n(C)c(C)c1C.
What is the InChIKey of N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The InChIKey is HQIBPUUPGZOIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4/h1-5H3,(H,11,12,13,15).
What are the key properties of N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide has a molecular weight of 208.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 54259999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).