3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione

C14H23N3O2 — CID 63810733

IUPAC3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCNCC2CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-16-9-7-13(18)17(14(16)19)10-8-15-11-12-5-3-2-4-6-12/h7,9,12,15H,2-6,8,10-11H2,1H3
InChIKeyOQSVPBYFJVZRKQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds5

About 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione

3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63810733) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
PubChem CID63810733
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CCNCC2CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-16-9-7-13(18)17(14(16)19)10-8-15-11-12-5-3-2-4-6-12/h7,9,12,15H,2-6,8,10-11H2,1H3
InChIKeyOQSVPBYFJVZRKQ-UHFFFAOYSA-N
XLogP0.72
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione (CID 63810733) is 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione is Cn1ccc(=O)n(CCNCC2CCCCC2)c1=O.
What is the InChIKey of 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is OQSVPBYFJVZRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-9-7-13(18)17(14(16)19)10-8-15-11-12-5-3-2-4-6-12/h7,9,12,15H,2-6,8,10-11H2,1H3.
What are the key properties of 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione?
3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63810733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).