6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione

C11H13N5O3 — CID 3127106

IUPAC6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c17-9-8(10(18)15-11(19)14-9)6-12-2-1-4-16-5-3-13-7-16/h3,5-7H,1-2,4H2,(H3,14,15,17,18,19)/b12-6+
InChIKeyGENDKXCFUOTFIV-WUXMJOGZSA-N
MW263.26 g/mol
LogP-0.53
Rot. Bonds5

About 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione (PubChem CID 3127106) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione
PubChem CID3127106
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C11H13N5O3/c17-9-8(10(18)15-11(19)14-9)6-12-2-1-4-16-5-3-13-7-16/h3,5-7H,1-2,4H2,(H3,14,15,17,18,19)/b12-6+
InChIKeyGENDKXCFUOTFIV-WUXMJOGZSA-N
XLogP-0.53
TPSA116.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione (CID 3127106) is 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/CCCn2ccnc2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GENDKXCFUOTFIV-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-9-8(10(18)15-11(19)14-9)6-12-2-1-4-16-5-3-13-7-16/h3,5-7H,1-2,4H2,(H3,14,15,17,18,19)/b12-6+.
What are the key properties of 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 263.26 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3127106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).