4,5-bis(ethenyl)-6-propan-2-ylpyrimidine

C11H14N2 — CID 143453413

IUPAC4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
SMILESC=Cc1ncnc(C(C)C)c1C=C
InChIInChI=1S/C11H14N2/c1-5-9-10(6-2)12-7-13-11(9)8(3)4/h5-8H,1-2H2,3-4H3
InChIKeyGFVVKKLQXFLKLY-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.89
Rot. Bonds3

About 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine

4,5-bis(ethenyl)-6-propan-2-ylpyrimidine (PubChem CID 143453413) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
PubChem CID143453413
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4,5-bis(ethenyl)-6-propan-2-ylpyrimidine
SMILESC=Cc1ncnc(C(C)C)c1C=C
InChIInChI=1S/C11H14N2/c1-5-9-10(6-2)12-7-13-11(9)8(3)4/h5-8H,1-2H2,3-4H3
InChIKeyGFVVKKLQXFLKLY-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(ethenyl)-5-methyl-2-propan-2-ylpyridine
CID 145358810
4-ethyl-6-propan-2-ylpyrimidin-5-ol
CID 143740728
1-(5-ethenyl-6-methylpyrimidin-4-yl)-N-methylmethanimine
CID 139474062
5,6-bis(ethenyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]pyrimidin-4-amine;ethane
CID 143805171
1-(4-ethenylpyrimidin-5-yl)ethanethiol
CID 163904160
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
CID 159878349
2-ethenyl-1,3,5-tri(propan-2-yl)benzene
CID 12920624
2,3-bis(ethenyl)-1,4-di(propan-2-yl)benzene
CID 142450771
N-(4-ethenyl-6-methylpyrimidin-5-yl)methanimine
CID 145188012
6-ethenyl-4-N-methylpyrimidine-4,5-diamine
CID 122643538
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
6-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-N-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]pyrimidin-4-amine
CID 143645901

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine (CID 143453413) is 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine is C=Cc1ncnc(C(C)C)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine?
The InChIKey is GFVVKKLQXFLKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-5-9-10(6-2)12-7-13-11(9)8(3)4/h5-8H,1-2H2,3-4H3.
What are the key properties of 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine?
4,5-bis(ethenyl)-6-propan-2-ylpyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 143453413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).