4-ethyl-2,4-dimethyl-1H-pyrimidine

C8H14N2 — CID 123276115

IUPAC4-ethyl-2,4-dimethyl-1H-pyrimidine
SMILESCCC1(C)C=CNC(C)=N1
InChIInChI=1S/C8H14N2/c1-4-8(3)5-6-9-7(2)10-8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyTWTYRLKLQHYSCQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.69
Rot. Bonds1

About 4-ethyl-2,4-dimethyl-1H-pyrimidine

4-ethyl-2,4-dimethyl-1H-pyrimidine (PubChem CID 123276115) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethyl-2,4-dimethyl-1H-pyrimidine.

Molecular Properties

Compound Name4-ethyl-2,4-dimethyl-1H-pyrimidine
PubChem CID123276115
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethyl-2,4-dimethyl-1H-pyrimidine
SMILESCCC1(C)C=CNC(C)=N1
InChIInChI=1S/C8H14N2/c1-4-8(3)5-6-9-7(2)10-8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyTWTYRLKLQHYSCQ-UHFFFAOYSA-N
XLogP1.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4-dimethyl-1H-pyrimidine?
The IUPAC name of 4-ethyl-2,4-dimethyl-1H-pyrimidine (CID 123276115) is 4-ethyl-2,4-dimethyl-1H-pyrimidine.
What is the SMILES notation for 4-ethyl-2,4-dimethyl-1H-pyrimidine?
The canonical SMILES for 4-ethyl-2,4-dimethyl-1H-pyrimidine is CCC1(C)C=CNC(C)=N1.
What is the InChIKey of 4-ethyl-2,4-dimethyl-1H-pyrimidine?
The InChIKey is TWTYRLKLQHYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(3)5-6-9-7(2)10-8/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-ethyl-2,4-dimethyl-1H-pyrimidine?
4-ethyl-2,4-dimethyl-1H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4-dimethyl-1H-pyrimidine is sourced from PubChem (CID 123276115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).