1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione

C9H10N2O3 — CID 14768759

IUPAC1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC#CCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h6,12H,4-5H2,1H3,(H,10,13,14)
InChIKeyULQDIMDNAOYUPA-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.16
Rot. Bonds1

About 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione

1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione (PubChem CID 14768759) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione
PubChem CID14768759
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC#CCO)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h6,12H,4-5H2,1H3,(H,10,13,14)
InChIKeyULQDIMDNAOYUPA-UHFFFAOYSA-N
XLogP-1.16
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione (CID 14768759) is 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC#CCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is ULQDIMDNAOYUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-7-6-11(4-2-3-5-12)9(14)10-8(7)13/h6,12H,4-5H2,1H3,(H,10,13,14).
What are the key properties of 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione?
1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14768759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).