N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide

C7H7N3O2 — CID 151290170

IUPACN-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C7H7N3O2/c1-2-6(11)9-5-3-4-8-7(12)10-5/h2-4H,1H2,(H2,8,9,10,11,12)
InChIKeyOAGMYUHJCYVCBW-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.11
Rot. Bonds2

About N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide

N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide (PubChem CID 151290170) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
PubChem CID151290170
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC NameN-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C7H7N3O2/c1-2-6(11)9-5-3-4-8-7(12)10-5/h2-4H,1H2,(H2,8,9,10,11,12)
InChIKeyOAGMYUHJCYVCBW-UHFFFAOYSA-N
XLogP-0.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.11
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

N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
CID 154512190
1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea
CID 142134205
6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
CID 15535315
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
6-(aminomethylamino)-1H-pyrimidin-2-one
CID 150921149
N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
6-(ethynylamino)-1H-pyrimidin-2-one
CID 90023101
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide?
The IUPAC name of N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide (CID 151290170) is N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide.
What is the SMILES notation for N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide?
The canonical SMILES for N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide is C=CC(=O)Nc1ccnc(=O)[nH]1.
What is the InChIKey of N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide?
The InChIKey is OAGMYUHJCYVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-2-6(11)9-5-3-4-8-7(12)10-5/h2-4H,1H2,(H2,8,9,10,11,12).
What are the key properties of N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide?
N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide has a molecular weight of 165.15 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyrimidin-6-yl)prop-2-enamide is sourced from PubChem (CID 151290170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).