1-ethenyl-4,6-dimethyl-2H-pyrimidine

C8H12N2 — CID 121329488

IUPAC1-ethenyl-4,6-dimethyl-2H-pyrimidine
SMILESC=CN1CN=C(C)C=C1C
InChIInChI=1S/C8H12N2/c1-4-10-6-9-7(2)5-8(10)3/h4-5H,1,6H2,2-3H3
InChIKeyZZNBANHMCSUBGJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds1

About 1-ethenyl-4,6-dimethyl-2H-pyrimidine

1-ethenyl-4,6-dimethyl-2H-pyrimidine (PubChem CID 121329488) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-ethenyl-4,6-dimethyl-2H-pyrimidine.

Molecular Properties

Compound Name1-ethenyl-4,6-dimethyl-2H-pyrimidine
PubChem CID121329488
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-ethenyl-4,6-dimethyl-2H-pyrimidine
SMILESC=CN1CN=C(C)C=C1C
InChIInChI=1S/C8H12N2/c1-4-10-6-9-7(2)5-8(10)3/h4-5H,1,6H2,2-3H3
InChIKeyZZNBANHMCSUBGJ-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 1-ethenyl-4,6-dimethyl-2H-pyrimidine?
The IUPAC name of 1-ethenyl-4,6-dimethyl-2H-pyrimidine (CID 121329488) is 1-ethenyl-4,6-dimethyl-2H-pyrimidine.
What is the SMILES notation for 1-ethenyl-4,6-dimethyl-2H-pyrimidine?
The canonical SMILES for 1-ethenyl-4,6-dimethyl-2H-pyrimidine is C=CN1CN=C(C)C=C1C.
What is the InChIKey of 1-ethenyl-4,6-dimethyl-2H-pyrimidine?
The InChIKey is ZZNBANHMCSUBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-10-6-9-7(2)5-8(10)3/h4-5H,1,6H2,2-3H3.
What are the key properties of 1-ethenyl-4,6-dimethyl-2H-pyrimidine?
1-ethenyl-4,6-dimethyl-2H-pyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4,6-dimethyl-2H-pyrimidine is sourced from PubChem (CID 121329488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).