5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione

C15H24N2O3 — CID 115947652

IUPAC5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCC(CC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-10-5-7-11(8-6-10)9-17-14(19)12(4-2)13(18)16-15(17)20/h10-11,19H,3-9H2,1-2H3,(H,16,18,20)
InChIKeyNXTCVEYJEALWFH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.02
Rot. Bonds4

About 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione

5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 115947652) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID115947652
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCC(CC)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-10-5-7-11(8-6-10)9-17-14(19)12(4-2)13(18)16-15(17)20/h10-11,19H,3-9H2,1-2H3,(H,16,18,20)
InChIKeyNXTCVEYJEALWFH-UHFFFAOYSA-N
XLogP2.02
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 113489671
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 115946019
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione (CID 115947652) is 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CC2CCC(CC)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is NXTCVEYJEALWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-10-5-7-11(8-6-10)9-17-14(19)12(4-2)13(18)16-15(17)20/h10-11,19H,3-9H2,1-2H3,(H,16,18,20).
What are the key properties of 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115947652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).