N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide

C8H8N4O2 — CID 115679462

IUPACN-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESN#CCNC(=O)Cn1cnccc1=O
InChIInChI=1S/C8H8N4O2/c9-2-4-11-7(13)5-12-6-10-3-1-8(12)14/h1,3,6H,4-5H2,(H,11,13)
InChIKeyRWJJDEISBNVAHH-UHFFFAOYSA-N
MW192.18 g/mol
LogP-1.12
Rot. Bonds3

About N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 115679462) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID115679462
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC NameN-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESN#CCNC(=O)Cn1cnccc1=O
InChIInChI=1S/C8H8N4O2/c9-2-4-11-7(13)5-12-6-10-3-1-8(12)14/h1,3,6H,4-5H2,(H,11,13)
InChIKeyRWJJDEISBNVAHH-UHFFFAOYSA-N
XLogP-1.12
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 66309570
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
3-(3-methoxy-2-oxopropyl)pyrimidin-4-one
CID 107507777
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
3-(3,3-dimethyl-2-oxobutyl)pyrimidin-4-one
CID 63769561
1-[2-(cyanomethylamino)-2-oxoethyl]-2-oxopyridine-4-carboxylic acid
CID 82898006
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
3-(2-methylidenebutyl)pyrimidin-4-one
CID 115897556
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 115679462) is N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide is N#CCNC(=O)Cn1cnccc1=O.
What is the InChIKey of N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RWJJDEISBNVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-2-4-11-7(13)5-12-6-10-3-1-8(12)14/h1,3,6H,4-5H2,(H,11,13).
What are the key properties of N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 192.18 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115679462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).