4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one

C17H19FN4O — CID 155120378

IUPAC4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one
SMILESC=Cc1nc(F)nc(N2CC(=O)NC(C)=C2/C=C\C)c1/C=C\C
InChIInChI=1S/C17H19FN4O/c1-5-8-12-13(7-3)20-17(18)21-16(12)22-10-15(23)19-11(4)14(22)9-6-2/h5-9H,3,10H2,1-2,4H3,(H,19,23)/b8-5-,9-6-
InChIKeyNURQZNJOHIBIFI-VVRUXRSYSA-N
MW314.36 g/mol
LogP3.04
Rot. Bonds4

About 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one

4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one (PubChem CID 155120378) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one
PubChem CID155120378
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one
SMILESC=Cc1nc(F)nc(N2CC(=O)NC(C)=C2/C=C\C)c1/C=C\C
InChIInChI=1S/C17H19FN4O/c1-5-8-12-13(7-3)20-17(18)21-16(12)22-10-15(23)19-11(4)14(22)9-6-2/h5-9H,3,10H2,1-2,4H3,(H,19,23)/b8-5-,9-6-
InChIKeyNURQZNJOHIBIFI-VVRUXRSYSA-N
XLogP3.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one?
The IUPAC name of 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one (CID 155120378) is 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one?
The canonical SMILES for 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one is C=Cc1nc(F)nc(N2CC(=O)NC(C)=C2/C=C\C)c1/C=C\C.
What is the InChIKey of 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one?
The InChIKey is NURQZNJOHIBIFI-VVRUXRSYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-5-8-12-13(7-3)20-17(18)21-16(12)22-10-15(23)19-11(4)14(22)9-6-2/h5-9H,3,10H2,1-2,4H3,(H,19,23)/b8-5-,9-6-.
What are the key properties of 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one?
4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one has a molecular weight of 314.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 155120378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).