5-amino-1-propylpyrimidine-2,4-dione

C7H11N3O2 — CID 63801125

IUPAC5-amino-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyXWNJESATENEUSV-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.47
Rot. Bonds2

About 5-amino-1-propylpyrimidine-2,4-dione

5-amino-1-propylpyrimidine-2,4-dione (PubChem CID 63801125) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-amino-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-propylpyrimidine-2,4-dione
PubChem CID63801125
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-amino-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12)
InChIKeyXWNJESATENEUSV-UHFFFAOYSA-N
XLogP-0.47
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-propylpyrimidine-2,4-dione (CID 63801125) is 5-amino-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-propylpyrimidine-2,4-dione?
The InChIKey is XWNJESATENEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h4H,2-3,8H2,1H3,(H,9,11,12).
What are the key properties of 5-amino-1-propylpyrimidine-2,4-dione?
5-amino-1-propylpyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).