3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

C7H7N3O3 — CID 169481516

IUPAC3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H7N3O3/c8-5(11)2-1-4-6(12)9-3-10-7(4)13/h1-3H,(H2,8,11)(H2,9,10,12,13)
InChIKeyXUVFOHYQALMRDA-UHFFFAOYSA-N
MW181.15 g/mol
LogP-1.03
Rot. Bonds2

About 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 169481516) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID169481516
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H7N3O3/c8-5(11)2-1-4-6(12)9-3-10-7(4)13/h1-3H,(H2,8,11)(H2,9,10,12,13)
InChIKeyXUVFOHYQALMRDA-UHFFFAOYSA-N
XLogP-1.03
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-hydroxypyrido[2,3-d]pyrimidin-4(1H)-one
CID 136494745
3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enamide
CID 169482312
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enal
CID 169458809
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 169460308
5-(3-azidoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169461444
5-(3-aminoprop-1-enyl)-1H-pyrimidin-6-one
CID 169463105
5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169463272
N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465111
4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473275
5-(3-bromoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169475167
5-(3-chloroprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169477014
3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 169481393

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The IUPAC name of 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 169481516) is 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is NC(=O)C=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The InChIKey is XUVFOHYQALMRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-5(11)2-1-4-6(12)9-3-10-7(4)13/h1-3H,(H2,8,11)(H2,9,10,12,13).
What are the key properties of 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide has a molecular weight of 181.15 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 169481516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).