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

C9H15N3O2 — CID 2106914

IUPAC6-amino-5-ethyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-5-12-7(10)6(4-2)8(13)11-9(12)14/h3-5,10H2,1-2H3,(H,11,13,14)
InChIKeyCCEQIPOSPYCTFU-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.09
Rot. Bonds3

About 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione

6-amino-5-ethyl-1-propylpyrimidine-2,4-dione (PubChem CID 2106914) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-ethyl-1-propylpyrimidine-2,4-dione
PubChem CID2106914
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-amino-5-ethyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-3-5-12-7(10)6(4-2)8(13)11-9(12)14/h3-5,10H2,1-2H3,(H,11,13,14)
InChIKeyCCEQIPOSPYCTFU-UHFFFAOYSA-N
XLogP0.09
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione (CID 2106914) is 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione?
The InChIKey is CCEQIPOSPYCTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-5-12-7(10)6(4-2)8(13)11-9(12)14/h3-5,10H2,1-2H3,(H,11,13,14).
What are the key properties of 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione?
6-amino-5-ethyl-1-propylpyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-ethyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2106914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).