3-amino-1-pentylpyrimidine-2,4-dione

C9H15N3O2 — CID 69088484

IUPAC3-amino-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1ccc(=O)n(N)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-11-7-5-8(13)12(10)9(11)14/h5,7H,2-4,6,10H2,1H3
InChIKeyMZPQJCGNELLYGY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.09
Rot. Bonds4

About 3-amino-1-pentylpyrimidine-2,4-dione

3-amino-1-pentylpyrimidine-2,4-dione (PubChem CID 69088484) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-amino-1-pentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-1-pentylpyrimidine-2,4-dione
PubChem CID69088484
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-amino-1-pentylpyrimidine-2,4-dione
SMILESCCCCCn1ccc(=O)n(N)c1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-4-6-11-7-5-8(13)12(10)9(11)14/h5,7H,2-4,6,10H2,1H3
InChIKeyMZPQJCGNELLYGY-UHFFFAOYSA-N
XLogP-0.09
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.09
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-amino-1-pentylpyrimidine-2,4-dione?
The IUPAC name of 3-amino-1-pentylpyrimidine-2,4-dione (CID 69088484) is 3-amino-1-pentylpyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-1-pentylpyrimidine-2,4-dione?
The canonical SMILES for 3-amino-1-pentylpyrimidine-2,4-dione is CCCCCn1ccc(=O)n(N)c1=O.
What is the InChIKey of 3-amino-1-pentylpyrimidine-2,4-dione?
The InChIKey is MZPQJCGNELLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-4-6-11-7-5-8(13)12(10)9(11)14/h5,7H,2-4,6,10H2,1H3.
What are the key properties of 3-amino-1-pentylpyrimidine-2,4-dione?
3-amino-1-pentylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pentylpyrimidine-2,4-dione is sourced from PubChem (CID 69088484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).