2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one

C15H18N4O3 — CID 136679107

IUPAC2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one
SMILESC/C(=N\N1CCOCC1)c1c(C)nc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-10-13(11(2)18-19-5-8-21-9-6-19)15(20)17-14(16-10)12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17,20)/b18-11+
InChIKeyUDHAEYKXOXLYEB-WOJGMQOQSA-N
MW302.33 g/mol
LogP1.39
Rot. Bonds3

About 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one

2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one (PubChem CID 136679107) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one
PubChem CID136679107
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one
SMILESC/C(=N\N1CCOCC1)c1c(C)nc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-10-13(11(2)18-19-5-8-21-9-6-19)15(20)17-14(16-10)12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17,20)/b18-11+
InChIKeyUDHAEYKXOXLYEB-WOJGMQOQSA-N
XLogP1.39
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one (CID 136679107) is 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one is C/C(=N\N1CCOCC1)c1c(C)nc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one?
The InChIKey is UDHAEYKXOXLYEB-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-13(11(2)18-19-5-8-21-9-6-19)15(20)17-14(16-10)12-4-3-7-22-12/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,17,20)/b18-11+.
What are the key properties of 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one?
2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methyl-5-[(E)-C-methyl-N-morpholin-4-ylcarbonimidoyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136679107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).