N-methylidene-2-pyrimidin-2-ylacetamide

C7H7N3O — CID 123637455

IUPACN-methylidene-2-pyrimidin-2-ylacetamide
SMILESC=NC(=O)Cc1ncccn1
InChIInChI=1S/C7H7N3O/c1-8-7(11)5-6-9-3-2-4-10-6/h2-4H,1,5H2
InChIKeyPJOXUKGJOPTCQK-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.25
Rot. Bonds2

About N-methylidene-2-pyrimidin-2-ylacetamide

N-methylidene-2-pyrimidin-2-ylacetamide (PubChem CID 123637455) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is N-methylidene-2-pyrimidin-2-ylacetamide.

Molecular Properties

Compound NameN-methylidene-2-pyrimidin-2-ylacetamide
PubChem CID123637455
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameN-methylidene-2-pyrimidin-2-ylacetamide
SMILESC=NC(=O)Cc1ncccn1
InChIInChI=1S/C7H7N3O/c1-8-7(11)5-6-9-3-2-4-10-6/h2-4H,1,5H2
InChIKeyPJOXUKGJOPTCQK-UHFFFAOYSA-N
XLogP0.25
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-pyrimidin-2-ylpropan-2-imine
CID 123914844
propan-2-yl formate;1-pyrimidin-2-ylpropan-2-one
CID 171501049
3-hydroxy-4-pyrimidin-2-ylbutan-2-one
CID 137472987
pyrimidin-2-ylmethanol
CID 2763024
2-(phosphorosomethyl)pyrimidine
CID 90114158
1-(oxan-4-yl)-2-pyrimidin-2-ylethanone
CID 116833106
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
CID 116833033
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
ethane;pyrimidin-2-ylmethanol
CID 143639944
2-[(2Z)-2-[(E)-3-chloro-2-fluoroprop-1-enyl]penta-2,4-dienyl]pyrimidine
CID 166687652
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
methyl 2-(pyrimidin-2-ylmethylamino)propanoate
CID 62699544

Frequently Asked Questions

What is the IUPAC name of N-methylidene-2-pyrimidin-2-ylacetamide?
The IUPAC name of N-methylidene-2-pyrimidin-2-ylacetamide (CID 123637455) is N-methylidene-2-pyrimidin-2-ylacetamide.
What is the SMILES notation for N-methylidene-2-pyrimidin-2-ylacetamide?
The canonical SMILES for N-methylidene-2-pyrimidin-2-ylacetamide is C=NC(=O)Cc1ncccn1.
What is the InChIKey of N-methylidene-2-pyrimidin-2-ylacetamide?
The InChIKey is PJOXUKGJOPTCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-8-7(11)5-6-9-3-2-4-10-6/h2-4H,1,5H2.
What are the key properties of N-methylidene-2-pyrimidin-2-ylacetamide?
N-methylidene-2-pyrimidin-2-ylacetamide has a molecular weight of 149.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-2-pyrimidin-2-ylacetamide is sourced from PubChem (CID 123637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).