1-(pentylamino)pyrimidine-2,4-dione

C9H15N3O2 — CID 67923381

IUPAC1-(pentylamino)pyrimidine-2,4-dione
SMILESCCCCCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-10-12-7-5-8(13)11-9(12)14/h5,7,10H,2-4,6H2,1H3,(H,11,13,14)
InChIKeyPFLHGIUROSDZQC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds5

About 1-(pentylamino)pyrimidine-2,4-dione

1-(pentylamino)pyrimidine-2,4-dione (PubChem CID 67923381) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(pentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(pentylamino)pyrimidine-2,4-dione
PubChem CID67923381
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(pentylamino)pyrimidine-2,4-dione
SMILESCCCCCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-10-12-7-5-8(13)11-9(12)14/h5,7,10H,2-4,6H2,1H3,(H,11,13,14)
InChIKeyPFLHGIUROSDZQC-UHFFFAOYSA-N
XLogP0.27
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
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-(pentylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(pentylamino)pyrimidine-2,4-dione (CID 67923381) is 1-(pentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(pentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(pentylamino)pyrimidine-2,4-dione is CCCCCNn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(pentylamino)pyrimidine-2,4-dione?
The InChIKey is PFLHGIUROSDZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-6-10-12-7-5-8(13)11-9(12)14/h5,7,10H,2-4,6H2,1H3,(H,11,13,14).
What are the key properties of 1-(pentylamino)pyrimidine-2,4-dione?
1-(pentylamino)pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 67923381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).