2-cyano-N-(2-methylpyrimidin-5-yl)acetamide

C8H8N4O — CID 130643403

IUPAC2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)CC#N)cn1
InChIInChI=1S/C8H8N4O/c1-6-10-4-7(5-11-6)12-8(13)2-3-9/h4-5H,2H2,1H3,(H,12,13)
InChIKeyYCDDEFSJKQLZNV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.64
Rot. Bonds2

About 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide

2-cyano-N-(2-methylpyrimidin-5-yl)acetamide (PubChem CID 130643403) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
PubChem CID130643403
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
SMILESCc1ncc(NC(=O)CC#N)cn1
InChIInChI=1S/C8H8N4O/c1-6-10-4-7(5-11-6)12-8(13)2-3-9/h4-5H,2H2,1H3,(H,12,13)
InChIKeyYCDDEFSJKQLZNV-UHFFFAOYSA-N
XLogP0.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-methylpyrimidin-5-yl)acetamide
CID 83815969
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
2-cyano-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 82668146
2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide
CID 168523381
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
CID 168522487
1,1-dimethyl-3-(2-methylpyrimidin-5-yl)urea
CID 130605359
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide (CID 130643403) is 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide is Cc1ncc(NC(=O)CC#N)cn1.
What is the InChIKey of 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide?
The InChIKey is YCDDEFSJKQLZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6-10-4-7(5-11-6)12-8(13)2-3-9/h4-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide?
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide has a molecular weight of 176.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 130643403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).