5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione

C12H16N4O3 — CID 106106946

IUPAC5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCc2ccn(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c1-3-9-10(17)13-12(19)16(11(9)18)7-5-8-4-6-15(2)14-8/h4,6,18H,3,5,7H2,1-2H3,(H,13,17,19)
InChIKeyBSNRJBZTCRFECQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.22
Rot. Bonds4

About 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106106946) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106106946
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCc2ccn(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c1-3-9-10(17)13-12(19)16(11(9)18)7-5-8-4-6-15(2)14-8/h4,6,18H,3,5,7H2,1-2H3,(H,13,17,19)
InChIKeyBSNRJBZTCRFECQ-UHFFFAOYSA-N
XLogP-0.22
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 104626403
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
1-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947997
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600745

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione (CID 106106946) is 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione is CCc1c(O)n(CCc2ccn(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is BSNRJBZTCRFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-9-10(17)13-12(19)16(11(9)18)7-5-8-4-6-15(2)14-8/h4,6,18H,3,5,7H2,1-2H3,(H,13,17,19).
What are the key properties of 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 264.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106106946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).