4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one

C16H14F4N4O3 — CID 138656027

IUPAC4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESN/C=C\c1c(N)nc(/C=C/c2ccc(OC(F)F)c(OC(F)F)c2)[nH]c1=O
InChIInChI=1S/C16H14F4N4O3/c17-15(18)26-10-3-1-8(7-11(10)27-16(19)20)2-4-12-23-13(22)9(5-6-21)14(25)24-12/h1-7,15-16H,21H2,(H3,22,23,24,25)/b4-2+,6-5-
InChIKeyUXZQAHPZAAVPSO-YXPGJMBHSA-N
MW386.31 g/mol
LogP2.65
Rot. Bonds7

About 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one

4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one (PubChem CID 138656027) has the molecular formula C16H14F4N4O3 and a molecular weight of 386.31 g/mol. Its IUPAC name is 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
PubChem CID138656027
Molecular FormulaC16H14F4N4O3
Molecular Weight386.31 g/mol
Exact Mass386.10
IUPAC Name4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESN/C=C\c1c(N)nc(/C=C/c2ccc(OC(F)F)c(OC(F)F)c2)[nH]c1=O
InChIInChI=1S/C16H14F4N4O3/c17-15(18)26-10-3-1-8(7-11(10)27-16(19)20)2-4-12-23-13(22)9(5-6-21)14(25)24-12/h1-7,15-16H,21H2,(H3,22,23,24,25)/b4-2+,6-5-
InChIKeyUXZQAHPZAAVPSO-YXPGJMBHSA-N
XLogP2.65
TPSA116.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one (CID 138656027) is 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one is N/C=C\c1c(N)nc(/C=C/c2ccc(OC(F)F)c(OC(F)F)c2)[nH]c1=O.
What is the InChIKey of 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
The InChIKey is UXZQAHPZAAVPSO-YXPGJMBHSA-N. The full InChI is InChI=1S/C16H14F4N4O3/c17-15(18)26-10-3-1-8(7-11(10)27-16(19)20)2-4-12-23-13(22)9(5-6-21)14(25)24-12/h1-7,15-16H,21H2,(H3,22,23,24,25)/b4-2+,6-5-.
What are the key properties of 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one?
4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one has a molecular weight of 386.31 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138656027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).