1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

C19H24N4O4 — CID 1400115

IUPAC1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-14(20-7-8-22-9-11-27-12-10-22)16-17(24)21-19(26)23(18(16)25)13-15-5-3-2-4-6-15/h2-6,25H,7-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeyLMDVITSATVECDR-XSFVSMFZSA-N
MW372.43 g/mol
LogP0.43
Rot. Bonds6

About 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione

1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (PubChem CID 1400115) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
PubChem CID1400115
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
SMILESC/C(=N\CCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O4/c1-14(20-7-8-22-9-11-27-12-10-22)16-17(24)21-19(26)23(18(16)25)13-15-5-3-2-4-6-15/h2-6,25H,7-13H2,1H3,(H,21,24,26)/b20-14+
InChIKeyLMDVITSATVECDR-XSFVSMFZSA-N
XLogP0.43
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione (CID 1400115) is 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is C/C(=N\CCN1CCOCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
The InChIKey is LMDVITSATVECDR-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-14(20-7-8-22-9-11-27-12-10-22)16-17(24)21-19(26)23(18(16)25)13-15-5-3-2-4-6-15/h2-6,25H,7-13H2,1H3,(H,21,24,26)/b20-14+.
What are the key properties of 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione?
1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione is sourced from PubChem (CID 1400115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).