5-ethyl-2,3-dimethyl-4H-pyrimidine

C8H14N2 — CID 142253036

IUPAC5-ethyl-2,3-dimethyl-4H-pyrimidine
SMILESCCC1=CN=C(C)N(C)C1
InChIInChI=1S/C8H14N2/c1-4-8-5-9-7(2)10(3)6-8/h5H,4,6H2,1-3H3
InChIKeyNNLPSVGUOTZOKV-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

About 5-ethyl-2,3-dimethyl-4H-pyrimidine

5-ethyl-2,3-dimethyl-4H-pyrimidine (PubChem CID 142253036) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-4H-pyrimidine
PubChem CID142253036
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-ethyl-2,3-dimethyl-4H-pyrimidine
SMILESCCC1=CN=C(C)N(C)C1
InChIInChI=1S/C8H14N2/c1-4-8-5-9-7(2)10(3)6-8/h5H,4,6H2,1-3H3
InChIKeyNNLPSVGUOTZOKV-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-4H-pyrimidine?
The IUPAC name of 5-ethyl-2,3-dimethyl-4H-pyrimidine (CID 142253036) is 5-ethyl-2,3-dimethyl-4H-pyrimidine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-4H-pyrimidine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-4H-pyrimidine is CCC1=CN=C(C)N(C)C1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-4H-pyrimidine?
The InChIKey is NNLPSVGUOTZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8-5-9-7(2)10(3)6-8/h5H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-4H-pyrimidine?
5-ethyl-2,3-dimethyl-4H-pyrimidine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-4H-pyrimidine is sourced from PubChem (CID 142253036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).