4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine

C12H16N2 — CID 156844926

IUPAC4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine
SMILESC/C=C(/C)c1cncnc1/C=C\CC
InChIInChI=1S/C12H16N2/c1-4-6-7-12-11(10(3)5-2)8-13-9-14-12/h5-9H,4H2,1-3H3/b7-6-,10-5-
InChIKeyVNXRGLBGGLPHEU-BHHIIOOYSA-N
MW188.27 g/mol
LogP3.32
Rot. Bonds3

About 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine

4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine (PubChem CID 156844926) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine
PubChem CID156844926
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine
SMILESC/C=C(/C)c1cncnc1/C=C\CC
InChIInChI=1S/C12H16N2/c1-4-6-7-12-11(10(3)5-2)8-13-9-14-12/h5-9H,4H2,1-3H3/b7-6-,10-5-
InChIKeyVNXRGLBGGLPHEU-BHHIIOOYSA-N
XLogP3.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(E)-but-1-enyl]pyrimidine
CID 67634043
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
5-methyl-4-[(Z)-3-methylidenepent-1-enyl]pyrimidine
CID 155204676
6-[(E)-but-1-enyl]pyridine-3-carbonitrile
CID 154695168
(E)-3-(4-ethylpyrimidin-5-yl)prop-2-en-1-ol
CID 59484693
1-(4-butylpyrimidin-5-yl)ethanone
CID 134232380
2-[(E)-but-1-enyl]-3-chloropyrazine
CID 134454771
4-[cyclohexyl(ethyl)amino]pyrimidine-5-carbothioamide
CID 112755316
4-ethyl-N-methoxypyrimidine-5-carboxamide
CID 130991563
5-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine-3,4-diamine
CID 154654247
aziridin-1-yl-(4-ethylpyrimidin-5-yl)methanone
CID 131154697
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine (CID 156844926) is 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine is C/C=C(/C)c1cncnc1/C=C\CC.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine?
The InChIKey is VNXRGLBGGLPHEU-BHHIIOOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-6-7-12-11(10(3)5-2)8-13-9-14-12/h5-9H,4H2,1-3H3/b7-6-,10-5-.
What are the key properties of 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine?
4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-5-[(Z)-but-2-en-2-yl]pyrimidine is sourced from PubChem (CID 156844926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).