5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C14H22N4O3 — CID 2207843

IUPAC5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCCNC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N4O3/c19-12-11(13(20)18-14(21)17-12)9-15-7-4-8-16-10-5-2-1-3-6-10/h9-10,16H,1-8H2,(H3,17,18,19,20,21)/b15-9+
InChIKeyZKFODYBLFXVHOC-OQLLNIDSSA-N
MW294.35 g/mol
LogP0.50
Rot. Bonds6

About 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 2207843) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID2207843
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(/C=N/CCCNC2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N4O3/c19-12-11(13(20)18-14(21)17-12)9-15-7-4-8-16-10-5-2-1-3-6-10/h9-10,16H,1-8H2,(H3,17,18,19,20,21)/b15-9+
InChIKeyZKFODYBLFXVHOC-OQLLNIDSSA-N
XLogP0.50
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 2207843) is 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(/C=N/CCCNC2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is ZKFODYBLFXVHOC-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-12-11(13(20)18-14(21)17-12)9-15-7-4-8-16-10-5-2-1-3-6-10/h9-10,16H,1-8H2,(H3,17,18,19,20,21)/b15-9+.
What are the key properties of 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)propyliminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2207843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).