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

C15H22N4O4 — CID 937296

IUPAC6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,21H,1,4-10H2,2H3,(H,17,20,22)/b16-11+
InChIKeyZSUDOUZLAVYECB-LFIBNONCSA-N
MW322.37 g/mol
LogP-0.43
Rot. Bonds6

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

6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 937296) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID937296
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C(C)=N/CCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,21H,1,4-10H2,2H3,(H,17,20,22)/b16-11+
InChIKeyZSUDOUZLAVYECB-LFIBNONCSA-N
XLogP-0.43
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione (CID 937296) is 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C(C)=N/CCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is ZSUDOUZLAVYECB-LFIBNONCSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-3-5-19-14(21)12(13(20)17-15(19)22)11(2)16-4-6-18-7-9-23-10-8-18/h3,21H,1,4-10H2,2H3,(H,17,20,22)/b16-11+.
What are the key properties of 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 322.37 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 6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 937296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).