6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione

C14H17N5O3 — CID 3406725

IUPAC6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c1-2-6-19-13(21)11(12(20)17-14(19)22)9-15-4-3-7-18-8-5-16-10-18/h2,5,8-10,21H,1,3-4,6-7H2,(H,17,20,22)/b15-9+
InChIKeyUHROMNKCZMROBJ-OQLLNIDSSA-N
MW303.32 g/mol
LogP0.13
Rot. Bonds7

About 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 3406725) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID3406725
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c1-2-6-19-13(21)11(12(20)17-14(19)22)9-15-4-3-7-18-8-5-16-10-18/h2,5,8-10,21H,1,3-4,6-7H2,(H,17,20,22)/b15-9+
InChIKeyUHROMNKCZMROBJ-OQLLNIDSSA-N
XLogP0.13
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione (CID 3406725) is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is UHROMNKCZMROBJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-2-6-19-13(21)11(12(20)17-14(19)22)9-15-4-3-7-18-8-5-16-10-18/h2,5,8-10,21H,1,3-4,6-7H2,(H,17,20,22)/b15-9+.
What are the key properties of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione?
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 3406725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).