5-amino-1,3-dibutylpyrimidine-2,4-dione

C12H21N3O2 — CID 4113678

IUPAC5-amino-1,3-dibutylpyrimidine-2,4-dione
SMILESCCCCn1cc(N)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8,13H2,1-2H3
InChIKeyKRNCATJLSWMWKM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.19
Rot. Bonds6

About 5-amino-1,3-dibutylpyrimidine-2,4-dione

5-amino-1,3-dibutylpyrimidine-2,4-dione (PubChem CID 4113678) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-amino-1,3-dibutylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1,3-dibutylpyrimidine-2,4-dione
PubChem CID4113678
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-amino-1,3-dibutylpyrimidine-2,4-dione
SMILESCCCCn1cc(N)c(=O)n(CCCC)c1=O
InChIInChI=1S/C12H21N3O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8,13H2,1-2H3
InChIKeyKRNCATJLSWMWKM-UHFFFAOYSA-N
XLogP1.19
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dibutylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1,3-dibutylpyrimidine-2,4-dione (CID 4113678) is 5-amino-1,3-dibutylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1,3-dibutylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1,3-dibutylpyrimidine-2,4-dione is CCCCn1cc(N)c(=O)n(CCCC)c1=O.
What is the InChIKey of 5-amino-1,3-dibutylpyrimidine-2,4-dione?
The InChIKey is KRNCATJLSWMWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-7-14-9-10(13)11(16)15(12(14)17)8-6-4-2/h9H,3-8,13H2,1-2H3.
What are the key properties of 5-amino-1,3-dibutylpyrimidine-2,4-dione?
5-amino-1,3-dibutylpyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dibutylpyrimidine-2,4-dione is sourced from PubChem (CID 4113678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).