5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H21N3O2 — CID 28609997

IUPAC5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyAQBLHZVKJXQMAA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.51
Rot. Bonds3

About 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28609997) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28609997
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H21N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyAQBLHZVKJXQMAA-UHFFFAOYSA-N
XLogP0.51
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28609997) is 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AQBLHZVKJXQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15-9-10(12(17)16(2)13(15)18)8-14-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohexylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28609997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).