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

C8H9N3O2 — CID 137095276

IUPAC2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1nc[nH]c(=O)c1C
InChIInChI=1S/C8H9N3O2/c1-4(7(9)12)6-5(2)8(13)11-3-10-6/h3H,1H2,2H3,(H2,9,12)(H,10,11,13)
InChIKeyMJWOZXIXIXMSSP-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.42
Rot. Bonds2

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

2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide (PubChem CID 137095276) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide
PubChem CID137095276
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide
SMILESC=C(C(N)=O)c1nc[nH]c(=O)c1C
InChIInChI=1S/C8H9N3O2/c1-4(7(9)12)6-5(2)8(13)11-3-10-6/h3H,1H2,2H3,(H2,9,12)(H,10,11,13)
InChIKeyMJWOZXIXIXMSSP-UHFFFAOYSA-N
XLogP-0.42
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-5-methyl-4(3H)-pyrimidinone
CID 135591009
4-(2-fluoropropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 135627621
5-fluoro-3-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-fluoropropan-2-yl)pyrimidin-4-one
CID 155328207
5-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1H-pyrimidin-6-one
CID 166841813
5-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrimidin-6-one
CID 137262447
5-[(E)-1-fluoroprop-1-enyl]-4-methyl-1H-pyrimidin-6-one
CID 142610499
5,6-Diethylpyrimidin-4(1H)-one
CID 135597434
5-Methyl-6-propylpyrimidin-4-ol
CID 135987382
6-Methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136162887
6-Isopropyl-5-methylpyrimidin-4-ol
CID 136331535
6-(5-methyl-6-oxo-1H-pyridin-3-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136411008
3,8-Dihydroquinazolin-8-id-4-one;rhodium
CID 136482133

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide?
The IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide (CID 137095276) is 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide.
What is the SMILES notation for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide?
The canonical SMILES for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide is C=C(C(N)=O)c1nc[nH]c(=O)c1C.
What is the InChIKey of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide?
The InChIKey is MJWOZXIXIXMSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4(7(9)12)6-5(2)8(13)11-3-10-6/h3H,1H2,2H3,(H2,9,12)(H,10,11,13).
What are the key properties of 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide?
2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide has a molecular weight of 179.18 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide is sourced from PubChem (CID 137095276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).