(2E)-2-ethylidene-1,6-dimethylpyrimidine

C8H12N2 — CID 135253872

IUPAC(2E)-2-ethylidene-1,6-dimethylpyrimidine
SMILESC/C=C1/N=CC=C(C)N1C
InChIInChI=1S/C8H12N2/c1-4-8-9-6-5-7(2)10(8)3/h4-6H,1-3H3/b8-4-
InChIKeyOKIDOQVAJBNGAC-YWEYNIOJSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds

About (2E)-2-ethylidene-1,6-dimethylpyrimidine

(2E)-2-ethylidene-1,6-dimethylpyrimidine (PubChem CID 135253872) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E)-2-ethylidene-1,6-dimethylpyrimidine.

Molecular Properties

Compound Name(2E)-2-ethylidene-1,6-dimethylpyrimidine
PubChem CID135253872
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E)-2-ethylidene-1,6-dimethylpyrimidine
SMILESC/C=C1/N=CC=C(C)N1C
InChIInChI=1S/C8H12N2/c1-4-8-9-6-5-7(2)10(8)3/h4-6H,1-3H3/b8-4-
InChIKeyOKIDOQVAJBNGAC-YWEYNIOJSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-1,6-dimethylpyrimidine?
The IUPAC name of (2E)-2-ethylidene-1,6-dimethylpyrimidine (CID 135253872) is (2E)-2-ethylidene-1,6-dimethylpyrimidine.
What is the SMILES notation for (2E)-2-ethylidene-1,6-dimethylpyrimidine?
The canonical SMILES for (2E)-2-ethylidene-1,6-dimethylpyrimidine is C/C=C1/N=CC=C(C)N1C.
What is the InChIKey of (2E)-2-ethylidene-1,6-dimethylpyrimidine?
The InChIKey is OKIDOQVAJBNGAC-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8-9-6-5-7(2)10(8)3/h4-6H,1-3H3/b8-4-.
What are the key properties of (2E)-2-ethylidene-1,6-dimethylpyrimidine?
(2E)-2-ethylidene-1,6-dimethylpyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-1,6-dimethylpyrimidine is sourced from PubChem (CID 135253872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).