1-ethyl-2-methyl-4H-pyrimidine

C7H12N2 — CID 45087199

IUPAC1-ethyl-2-methyl-4H-pyrimidine
SMILESCCN1C=CCN=C1C
InChIInChI=1S/C7H12N2/c1-3-9-6-4-5-8-7(9)2/h4,6H,3,5H2,1-2H3
InChIKeyDZZJIJASHWLVBF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds1

About 1-ethyl-2-methyl-4H-pyrimidine

1-ethyl-2-methyl-4H-pyrimidine (PubChem CID 45087199) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4H-pyrimidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-4H-pyrimidine
PubChem CID45087199
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-ethyl-2-methyl-4H-pyrimidine
SMILESCCN1C=CCN=C1C
InChIInChI=1S/C7H12N2/c1-3-9-6-4-5-8-7(9)2/h4,6H,3,5H2,1-2H3
InChIKeyDZZJIJASHWLVBF-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4H-pyrimidine?
The IUPAC name of 1-ethyl-2-methyl-4H-pyrimidine (CID 45087199) is 1-ethyl-2-methyl-4H-pyrimidine.
What is the SMILES notation for 1-ethyl-2-methyl-4H-pyrimidine?
The canonical SMILES for 1-ethyl-2-methyl-4H-pyrimidine is CCN1C=CCN=C1C.
What is the InChIKey of 1-ethyl-2-methyl-4H-pyrimidine?
The InChIKey is DZZJIJASHWLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-9-6-4-5-8-7(9)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4H-pyrimidine?
1-ethyl-2-methyl-4H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4H-pyrimidine is sourced from PubChem (CID 45087199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).