2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene

C11H16N2 — CID 142933444

IUPAC2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene
SMILESC=CC.C=CC1=NC=CCN1C=C
InChIInChI=1S/C8H10N2.C3H6/c1-3-8-9-6-5-7-10(8)4-2;1-3-2/h3-6H,1-2,7H2;3H,1H2,2H3
InChIKeyWWMVUZVMJZGRLJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.74
Rot. Bonds2

About 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene

2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene (PubChem CID 142933444) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene
PubChem CID142933444
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene
SMILESC=CC.C=CC1=NC=CCN1C=C
InChIInChI=1S/C8H10N2.C3H6/c1-3-8-9-6-5-7-10(8)4-2;1-3-2/h3-6H,1-2,7H2;3H,1H2,2H3
InChIKeyWWMVUZVMJZGRLJ-UHFFFAOYSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-methylimino-
CID 171384672
Pyrido[1,2-a]pyrimidine
CID 20094215
2,3-Dimethylpyrimidin-4-imine
CID 13925309
4-Ethylimidazo[1,2-a]pyridin-4-ium
CID 18001023
1,2-Bis(ethenyl)-1-methylimidazol-1-ium
CID 20040771
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
1,3-diethyl-4H-pyrimidin-3-ium
CID 23148547
1,3-dipropyl-4H-pyrimidin-3-ium
CID 23148585
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
N,N-dimethyl-2-methylidene-1-propan-2-ylpyrimidin-4-amine
CID 58337014

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene?
The IUPAC name of 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene (CID 142933444) is 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene.
What is the SMILES notation for 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene?
The canonical SMILES for 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene is C=CC.C=CC1=NC=CCN1C=C.
What is the InChIKey of 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene?
The InChIKey is WWMVUZVMJZGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C3H6/c1-3-8-9-6-5-7-10(8)4-2;1-3-2/h3-6H,1-2,7H2;3H,1H2,2H3.
What are the key properties of 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene?
2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene has a molecular weight of 176.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4H-pyrimidine;prop-1-ene is sourced from PubChem (CID 142933444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).