N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide

C9H11N3O2 — CID 166414548

IUPACN-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(COC)nc1
InChIInChI=1S/C9H11N3O2/c1-3-9(13)12-7-4-10-8(6-14-2)11-5-7/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyIRNKFIMXUOKBEZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.75
Rot. Bonds4

About N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide

N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide (PubChem CID 166414548) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
PubChem CID166414548
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(COC)nc1
InChIInChI=1S/C9H11N3O2/c1-3-9(13)12-7-4-10-8(6-14-2)11-5-7/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyIRNKFIMXUOKBEZ-UHFFFAOYSA-N
XLogP0.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.75
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

N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
N-(5-methoxypyrimidin-4-yl)prop-2-enamide
CID 166406889
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
methyl 2-[3-(prop-2-enoylamino)-5-quinoxalin-2-ylphenyl]acetate
CID 129157855
(2S)-N-(2-ethylpyrimidin-5-yl)-3-methoxy-2-methylpropanamide
CID 164641250
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide?
The IUPAC name of N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide (CID 166414548) is N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide?
The canonical SMILES for N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide is C=CC(=O)Nc1cnc(COC)nc1.
What is the InChIKey of N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide?
The InChIKey is IRNKFIMXUOKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-9(13)12-7-4-10-8(6-14-2)11-5-7/h3-5H,1,6H2,2H3,(H,12,13).
What are the key properties of N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide?
N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide has a molecular weight of 193.21 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide is sourced from PubChem (CID 166414548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).