N'-ethyl-2-methylpyrimidine-4-carboximidamide

C8H12N4 — CID 115531332

IUPACN'-ethyl-2-methylpyrimidine-4-carboximidamide
SMILESCC/N=C(\N)c1ccnc(C)n1
InChIInChI=1S/C8H12N4/c1-3-10-8(9)7-4-5-11-6(2)12-7/h4-5H,3H2,1-2H3,(H2,9,10)
InChIKeySBXLTMIQINOYCN-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.51
Rot. Bonds2

About N'-ethyl-2-methylpyrimidine-4-carboximidamide

N'-ethyl-2-methylpyrimidine-4-carboximidamide (PubChem CID 115531332) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-ethyl-2-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-2-methylpyrimidine-4-carboximidamide
PubChem CID115531332
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN'-ethyl-2-methylpyrimidine-4-carboximidamide
SMILESCC/N=C(\N)c1ccnc(C)n1
InChIInChI=1S/C8H12N4/c1-3-10-8(9)7-4-5-11-6(2)12-7/h4-5H,3H2,1-2H3,(H2,9,10)
InChIKeySBXLTMIQINOYCN-UHFFFAOYSA-N
XLogP0.51
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
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'-ethyl-2-methylpyrimidine-4-carboximidamide?
The IUPAC name of N'-ethyl-2-methylpyrimidine-4-carboximidamide (CID 115531332) is N'-ethyl-2-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-ethyl-2-methylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-ethyl-2-methylpyrimidine-4-carboximidamide is CC/N=C(\N)c1ccnc(C)n1.
What is the InChIKey of N'-ethyl-2-methylpyrimidine-4-carboximidamide?
The InChIKey is SBXLTMIQINOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-10-8(9)7-4-5-11-6(2)12-7/h4-5H,3H2,1-2H3,(H2,9,10).
What are the key properties of N'-ethyl-2-methylpyrimidine-4-carboximidamide?
N'-ethyl-2-methylpyrimidine-4-carboximidamide has a molecular weight of 164.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 115531332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).