1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione

C12H20N2O3 — CID 54311447

IUPAC1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCC(C)n1c(O)cc(=O)n(C(C)CC)c1=O
InChIInChI=1S/C12H20N2O3/c1-5-8(3)13-10(15)7-11(16)14(12(13)17)9(4)6-2/h7-9,15H,5-6H2,1-4H3
InChIKeySLEGGYNWOKKPIF-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.66
Rot. Bonds4

About 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione

1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 54311447) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione
PubChem CID54311447
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCC(C)n1c(O)cc(=O)n(C(C)CC)c1=O
InChIInChI=1S/C12H20N2O3/c1-5-8(3)13-10(15)7-11(16)14(12(13)17)9(4)6-2/h7-9,15H,5-6H2,1-4H3
InChIKeySLEGGYNWOKKPIF-UHFFFAOYSA-N
XLogP1.66
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-1,3-dipropyluracil
CID 855055
6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione
CID 95675
6-Amino-3-ethyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 116086
6-Amino-1-methyl-3-propyl-2,4(1H,3H)-pyrimidinedione
CID 116087
6-Amino-1-cyclopropyl-3-ethylpyrimidine-2,4-dione
CID 118711589
6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 11344138
6-Amino-1,3-dibutyluracil
CID 9991843
1,3-Dipropylpyrimidine-2,4(1H,3H)-dione
CID 12357933
1,3-Diethyl-6-hydroxypyrimidine-2,4-dione
CID 14496865
1,3-Dibutyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 54326388
3-Ethyl-6-hydroxy-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 90819372
1,3-Dibutyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 91396299

Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione (CID 54311447) is 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione is CCC(C)n1c(O)cc(=O)n(C(C)CC)c1=O.
What is the InChIKey of 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is SLEGGYNWOKKPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-8(3)13-10(15)7-11(16)14(12(13)17)9(4)6-2/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione?
1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 54311447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).