4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide

C8H9N3O3 — CID 170797568

IUPAC4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide
SMILESNC(=O)CC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H9N3O3/c9-6(12)3-1-2-5-7(13)10-4-11-8(5)14/h1-2,4H,3H2,(H2,9,12)(H2,10,11,13,14)
InChIKeyOMCXJMGVBFUIJY-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.64
Rot. Bonds3

About 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide

4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide (PubChem CID 170797568) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide.

Molecular Properties

Compound Name4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide
PubChem CID170797568
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide
SMILESNC(=O)CC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H9N3O3/c9-6(12)3-1-2-5-7(13)10-4-11-8(5)14/h1-2,4H,3H2,(H2,9,12)(H2,10,11,13,14)
InChIKeyOMCXJMGVBFUIJY-UHFFFAOYSA-N
XLogP-0.64
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide?
The IUPAC name of 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide (CID 170797568) is 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide.
What is the SMILES notation for 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide?
The canonical SMILES for 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide is NC(=O)CC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide?
The InChIKey is OMCXJMGVBFUIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-6(12)3-1-2-5-7(13)10-4-11-8(5)14/h1-2,4H,3H2,(H2,9,12)(H2,10,11,13,14).
What are the key properties of 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide?
4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide has a molecular weight of 195.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enamide is sourced from PubChem (CID 170797568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).