4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane

C17H27N3 — CID 143345847

IUPAC4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane
SMILESC=CC1=NC2=CN=CCN2C(C(=C)CC)=C1.CC.CC
InChIInChI=1S/C13H15N3.2C2H6/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13;2*1-2/h5-6,8-9H,2-4,7H2,1H3;2*1-2H3
InChIKeyGYSYSFOGGZCVNB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.71
Rot. Bonds3

About 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane

4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane (PubChem CID 143345847) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane.

Molecular Properties

Compound Name4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane
PubChem CID143345847
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane
SMILESC=CC1=NC2=CN=CCN2C(C(=C)CC)=C1.CC.CC
InChIInChI=1S/C13H15N3.2C2H6/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13;2*1-2/h5-6,8-9H,2-4,7H2,1H3;2*1-2H3
InChIKeyGYSYSFOGGZCVNB-UHFFFAOYSA-N
XLogP4.71
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-pyrimido[1,2-a]quinoline
CID 91449658
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
CID 57207223
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
7-Methyl-6-methylidenepyrido[1,2-a]pyrimidine
CID 59284286
4-propan-2-yl-6H-pyrido[1,2-a]pyrimidine
CID 59622924
2-methyl-3-pentyl-2H-quinazoline
CID 70386974
N,N-dimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 91094632
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
(2Z)-4-methyl-1-methylidene-2-(4-methyl-1-methylidene-2,5-dihydropyridin-1-ium-2,5-diid-6-ylidene)pyridin-1-ium
CID 140446381
6-methyl-1H-pyrido[1,2-c]pyrimidine
CID 142434040
ethane;6-methyl-7H-1,6-naphthyridine
CID 142893894
Acetylene;6-but-1-en-2-yl-4-ethenyl-1-methyl-2-methylidenepyrimidine;ethane
CID 143345365

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane?
The IUPAC name of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane (CID 143345847) is 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane.
What is the SMILES notation for 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane?
The canonical SMILES for 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane is C=CC1=NC2=CN=CCN2C(C(=C)CC)=C1.CC.CC.
What is the InChIKey of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane?
The InChIKey is GYSYSFOGGZCVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.2C2H6/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13;2*1-2/h5-6,8-9H,2-4,7H2,1H3;2*1-2H3.
What are the key properties of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane?
4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane has a molecular weight of 273.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine;ethane is sourced from PubChem (CID 143345847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).