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

C13H15N3 — CID 143345848

IUPAC4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine
SMILESC=CC1=NC2=CN=CCN2C(C(=C)CC)=C1
InChIInChI=1S/C13H15N3/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13/h5-6,8-9H,2-4,7H2,1H3
InChIKeyBILHSVCJCGIYMW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.66
Rot. Bonds3

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

4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine (PubChem CID 143345848) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine
PubChem CID143345848
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine
SMILESC=CC1=NC2=CN=CCN2C(C(=C)CC)=C1
InChIInChI=1S/C13H15N3/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13/h5-6,8-9H,2-4,7H2,1H3
InChIKeyBILHSVCJCGIYMW-UHFFFAOYSA-N
XLogP2.66
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine?
The IUPAC name of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine (CID 143345848) is 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine.
What is the SMILES notation for 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine?
The canonical SMILES for 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine is C=CC1=NC2=CN=CCN2C(C(=C)CC)=C1.
What is the InChIKey of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine?
The InChIKey is BILHSVCJCGIYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-4-10(3)12-8-11(5-2)15-13-9-14-6-7-16(12)13/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine?
4-but-1-en-2-yl-2-ethenyl-6H-pyrazino[1,2-a]pyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 143345848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).