2,4-bis(ethenyl)-5,6-diethylpyrimidine

C12H16N2 — CID 132597725

IUPAC2,4-bis(ethenyl)-5,6-diethylpyrimidine
SMILESC=Cc1nc(C=C)c(CC)c(CC)n1
InChIInChI=1S/C12H16N2/c1-5-9-10(6-2)13-12(8-4)14-11(9)7-3/h6,8H,2,4-5,7H2,1,3H3
InChIKeyJWQWQUPRHOHEBL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.89
Rot. Bonds4

About 2,4-bis(ethenyl)-5,6-diethylpyrimidine

2,4-bis(ethenyl)-5,6-diethylpyrimidine (PubChem CID 132597725) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,4-bis(ethenyl)-5,6-diethylpyrimidine.

Molecular Properties

Compound Name2,4-bis(ethenyl)-5,6-diethylpyrimidine
PubChem CID132597725
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,4-bis(ethenyl)-5,6-diethylpyrimidine
SMILESC=Cc1nc(C=C)c(CC)c(CC)n1
InChIInChI=1S/C12H16N2/c1-5-9-10(6-2)13-12(8-4)14-11(9)7-3/h6,8H,2,4-5,7H2,1,3H3
InChIKeyJWQWQUPRHOHEBL-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Tris(1,1-dimethylethyl)pyrimidine
CID 3440137
4-Ethenyl-2,6-dimethylpyrimidine
CID 15626101
2-Chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine
CID 73994643
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
4-Ethyl-5,6-dimethyl-2-phenylpyrimidine
CID 5338322
Pyrimidine, 5-allyl-2-amino-4,6-dimethyl-
CID 25419798
4,6-Dimethyl-5-propyl-2-pyrimidinamine
CID 45064186
2,4-Dimethyl-6-phenylpyrimidine
CID 11344414
6,7-Dihydro-2,4-dimethyl-5H-cyclopentapyrimidine
CID 13111292
2,4-Dimethyl-5,6,7,8-tetrahydroquinazoline
CID 13111293
Tetramethylpyrimidine
CID 13571615

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethenyl)-5,6-diethylpyrimidine?
The IUPAC name of 2,4-bis(ethenyl)-5,6-diethylpyrimidine (CID 132597725) is 2,4-bis(ethenyl)-5,6-diethylpyrimidine.
What is the SMILES notation for 2,4-bis(ethenyl)-5,6-diethylpyrimidine?
The canonical SMILES for 2,4-bis(ethenyl)-5,6-diethylpyrimidine is C=Cc1nc(C=C)c(CC)c(CC)n1.
What is the InChIKey of 2,4-bis(ethenyl)-5,6-diethylpyrimidine?
The InChIKey is JWQWQUPRHOHEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9-10(6-2)13-12(8-4)14-11(9)7-3/h6,8H,2,4-5,7H2,1,3H3.
What are the key properties of 2,4-bis(ethenyl)-5,6-diethylpyrimidine?
2,4-bis(ethenyl)-5,6-diethylpyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethenyl)-5,6-diethylpyrimidine is sourced from PubChem (CID 132597725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).