5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione

C11H15N3O3 — CID 2253940

IUPAC5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16,17)/b12-6+
InChIKeyCAZVBCYMTVRRCJ-WUXMJOGZSA-N
MW237.26 g/mol
LogP0.52
Rot. Bonds2

About 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione

5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2253940) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2253940
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16,17)/b12-6+
InChIKeyCAZVBCYMTVRRCJ-WUXMJOGZSA-N
XLogP0.52
TPSA98.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2253940) is 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is CAZVBCYMTVRRCJ-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-8(10(16)14-11(17)13-9)6-12-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,13,14,15,16,17)/b12-6+.
What are the key properties of 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione?
5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2253940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).