5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione

C11H18N2O3 — CID 112598462

IUPAC5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
SMILESCCc1c(O)n(C(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-4-7(5-2)13-10(15)8(6-3)9(14)12-11(13)16/h7,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyKHODXAVQMQKIEA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.17
Rot. Bonds4

About 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione (PubChem CID 112598462) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
PubChem CID112598462
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
SMILESCCc1c(O)n(C(CC)CC)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-4-7(5-2)13-10(15)8(6-3)9(14)12-11(13)16/h7,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyKHODXAVQMQKIEA-UHFFFAOYSA-N
XLogP1.17
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
CID 115947730
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 115947446
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
6-hydroxy-5-methyl-1-(3-methylpentan-2-yl)pyrimidine-2,4-dione
CID 112600179
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione (CID 112598462) is 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione is CCc1c(O)n(C(CC)CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione?
The InChIKey is KHODXAVQMQKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-7(5-2)13-10(15)8(6-3)9(14)12-11(13)16/h7,15H,4-6H2,1-3H3,(H,12,14,16).
What are the key properties of 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione is sourced from PubChem (CID 112598462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).