1,2-bis(ethenyl)-4H-pyrimidine;ethane

C12H22N2 — CID 143195789

IUPAC1,2-bis(ethenyl)-4H-pyrimidine;ethane
SMILESC=CC1=NCC=CN1C=C.CC.CC
InChIInChI=1S/C8H10N2.2C2H6/c1-3-8-9-6-5-7-10(8)4-2;2*1-2/h3-5,7H,1-2,6H2;2*1-2H3
InChIKeyWQOXZOPRQGAILQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.60
Rot. Bonds2

About 1,2-bis(ethenyl)-4H-pyrimidine;ethane

1,2-bis(ethenyl)-4H-pyrimidine;ethane (PubChem CID 143195789) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4H-pyrimidine;ethane.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4H-pyrimidine;ethane
PubChem CID143195789
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,2-bis(ethenyl)-4H-pyrimidine;ethane
SMILESC=CC1=NCC=CN1C=C.CC.CC
InChIInChI=1S/C8H10N2.2C2H6/c1-3-8-9-6-5-7-10(8)4-2;2*1-2/h3-5,7H,1-2,6H2;2*1-2H3
InChIKeyWQOXZOPRQGAILQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-bis(ethenyl)-4H-pyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-methylimino-
CID 171384672
Pyrido-[1,2-a]-1,3-diazepine
CID 129798958
1-ethenyl-5-fluoro-N-methylpyridin-2-imine
CID 68334595
2-(Azaethylidene)-1-methylhydropyridine
CID 4463569
1,2-Bis(ethenyl)-1-methylimidazol-1-ium
CID 20040771
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
carbanide;2H-imidazo[1,2-a]pyridin-2-ide;tungsten(2+)
CID 20657835
2-Ethenyl-1,1-dimethylimidazol-1-ium chloride
CID 22247459
2-Ethenyl-1,1-dimethylimidazol-1-ium
CID 22247460
2-Ethyl-1-methyl-1,4-dihydropyrimidine
CID 45087198
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-4H-pyrimidine;ethane?
The IUPAC name of 1,2-bis(ethenyl)-4H-pyrimidine;ethane (CID 143195789) is 1,2-bis(ethenyl)-4H-pyrimidine;ethane.
What is the SMILES notation for 1,2-bis(ethenyl)-4H-pyrimidine;ethane?
The canonical SMILES for 1,2-bis(ethenyl)-4H-pyrimidine;ethane is C=CC1=NCC=CN1C=C.CC.CC.
What is the InChIKey of 1,2-bis(ethenyl)-4H-pyrimidine;ethane?
The InChIKey is WQOXZOPRQGAILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.2C2H6/c1-3-8-9-6-5-7-10(8)4-2;2*1-2/h3-5,7H,1-2,6H2;2*1-2H3.
What are the key properties of 1,2-bis(ethenyl)-4H-pyrimidine;ethane?
1,2-bis(ethenyl)-4H-pyrimidine;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4H-pyrimidine;ethane is sourced from PubChem (CID 143195789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).