N-(5-methoxypyrimidin-4-yl)prop-2-enamide

C8H9N3O2 — CID 166406889

IUPACN-(5-methoxypyrimidin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncncc1OC
InChIInChI=1S/C8H9N3O2/c1-3-7(12)11-8-6(13-2)4-9-5-10-8/h3-5H,1H2,2H3,(H,9,10,11,12)
InChIKeyXDCHENQJAJRFKH-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.61
Rot. Bonds3

About N-(5-methoxypyrimidin-4-yl)prop-2-enamide

N-(5-methoxypyrimidin-4-yl)prop-2-enamide (PubChem CID 166406889) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-(5-methoxypyrimidin-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-methoxypyrimidin-4-yl)prop-2-enamide
PubChem CID166406889
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-(5-methoxypyrimidin-4-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ncncc1OC
InChIInChI=1S/C8H9N3O2/c1-3-7(12)11-8-6(13-2)4-9-5-10-8/h3-5H,1H2,2H3,(H,9,10,11,12)
InChIKeyXDCHENQJAJRFKH-UHFFFAOYSA-N
XLogP0.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
1-(5-methoxypyrimidin-4-yl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 124884907
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
CID 166414548
N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
(Z)-N-(5-amino-3-methoxy-2-pyridinyl)but-2-enamide
CID 165439868
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypyrimidin-4-yl)prop-2-enamide?
The IUPAC name of N-(5-methoxypyrimidin-4-yl)prop-2-enamide (CID 166406889) is N-(5-methoxypyrimidin-4-yl)prop-2-enamide.
What is the SMILES notation for N-(5-methoxypyrimidin-4-yl)prop-2-enamide?
The canonical SMILES for N-(5-methoxypyrimidin-4-yl)prop-2-enamide is C=CC(=O)Nc1ncncc1OC.
What is the InChIKey of N-(5-methoxypyrimidin-4-yl)prop-2-enamide?
The InChIKey is XDCHENQJAJRFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-3-7(12)11-8-6(13-2)4-9-5-10-8/h3-5H,1H2,2H3,(H,9,10,11,12).
What are the key properties of N-(5-methoxypyrimidin-4-yl)prop-2-enamide?
N-(5-methoxypyrimidin-4-yl)prop-2-enamide has a molecular weight of 179.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypyrimidin-4-yl)prop-2-enamide is sourced from PubChem (CID 166406889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).