1-[2-(butylamino)ethyl]pyrimidine-2,4-dione

C10H17N3O2 — CID 13085945

IUPAC1-[2-(butylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCCNCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-5-11-6-8-13-7-4-9(14)12-10(13)15/h4,7,11H,2-3,5-6,8H2,1H3,(H,12,14,15)
InChIKeyGOMNPJBJFBKZIE-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.07
Rot. Bonds6

About 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione

1-[2-(butylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 13085945) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(butylamino)ethyl]pyrimidine-2,4-dione
PubChem CID13085945
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(butylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCCNCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-2-3-5-11-6-8-13-7-4-9(14)12-10(13)15/h4,7,11H,2-3,5-6,8H2,1H3,(H,12,14,15)
InChIKeyGOMNPJBJFBKZIE-UHFFFAOYSA-N
XLogP-0.07
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.07
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-(butylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione (CID 13085945) is 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione is CCCCNCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is GOMNPJBJFBKZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-5-11-6-8-13-7-4-9(14)12-10(13)15/h4,7,11H,2-3,5-6,8H2,1H3,(H,12,14,15).
What are the key properties of 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione?
1-[2-(butylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 13085945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).