1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione

C14H23N3O2 — CID 66328156

IUPAC1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCNCC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-12-10-17(14(19)16-13(12)18)8-7-15-9-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H,16,18,19)
InChIKeyJBEKTUARJXPMAX-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.88
Rot. Bonds6

About 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione

1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66328156) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66328156
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CCNCC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-2-12-10-17(14(19)16-13(12)18)8-7-15-9-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H,16,18,19)
InChIKeyJBEKTUARJXPMAX-UHFFFAOYSA-N
XLogP0.88
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione (CID 66328156) is 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(CCNCC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is JBEKTUARJXPMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-12-10-17(14(19)16-13(12)18)8-7-15-9-11-5-3-4-6-11/h10-11,15H,2-9H2,1H3,(H,16,18,19).
What are the key properties of 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione?
1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66328156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).