1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione

C10H14N2O3 — CID 5276911

IUPAC1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESC/C(=C\Cn1cc(C)c(=O)[nH]c1=O)CO
InChIInChI=1S/C10H14N2O3/c1-7(6-13)3-4-12-5-8(2)9(14)11-10(12)15/h3,5,13H,4,6H2,1-2H3,(H,11,14,15)/b7-3+
InChIKeyNWCCAORJZGDKNZ-XVNBXDOJSA-N
MW210.23 g/mol
LogP-0.22
Rot. Bonds3

About 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione

1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5276911) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID5276911
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESC/C(=C\Cn1cc(C)c(=O)[nH]c1=O)CO
InChIInChI=1S/C10H14N2O3/c1-7(6-13)3-4-12-5-8(2)9(14)11-10(12)15/h3,5,13H,4,6H2,1-2H3,(H,11,14,15)/b7-3+
InChIKeyNWCCAORJZGDKNZ-XVNBXDOJSA-N
XLogP-0.22
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[3-Hydroxy-2-(Hydroxymethyl)prop-1-En-1-Yl]-1,5-Dimethylpyrimidine-2,4(1h,3h)-Dione
CID 56665365
1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
1-[4-(Hydroxymethyl)-2,5-dihydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
CID 492554
1-[(Z)-4-Hydroxy-2-butenyl]thymine
CID 6474727
1-[(E)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 6474979
1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methyl-pyrimidine-2,4-dione
CID 6474980
1-[(E)-3-fluoro-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
CID 10081944
6-[(1z)-3-Fluoro-2-(Hydroxymethyl)prop-1-En-1-Yl]-1,5-Dimethylpyrimidine-2,4(1h,3h)-Dione
CID 51038917
1-[4-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
CID 10656747
1-(4-Hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione
CID 14768759
1-[(E)-3-hydroxyprop-1-enyl]-5-methylpyrimidine-2,4-dione
CID 44386290
1-[(Z)-2-bromo-4-hydroxy-3-methyl-but-2-enyl]-5-fluoro-pyrimidine-2,4-dione
CID 49767778

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione (CID 5276911) is 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione is C/C(=C\Cn1cc(C)c(=O)[nH]c1=O)CO.
What is the InChIKey of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is NWCCAORJZGDKNZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(6-13)3-4-12-5-8(2)9(14)11-10(12)15/h3,5,13H,4,6H2,1-2H3,(H,11,14,15)/b7-3+.
What are the key properties of 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5276911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).