2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide

C10H12N4O — CID 114291024

IUPAC2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ncccn1
InChIInChI=1S/C10H12N4O/c1-3-10(2,7-11)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H,12,13,14,15)
InChIKeyXFCHXJFVHJHGOZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.35
Rot. Bonds3

About 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide

2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide (PubChem CID 114291024) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
PubChem CID114291024
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
SMILESCCC(C)(C#N)C(=O)Nc1ncccn1
InChIInChI=1S/C10H12N4O/c1-3-10(2,7-11)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H,12,13,14,15)
InChIKeyXFCHXJFVHJHGOZ-UHFFFAOYSA-N
XLogP1.35
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
2-Acetamidopyrimidine
CID 273584
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-(pyrimidin-2-yl)-2,2-bis(trifluoromethyl)butanamide
CID 659676
3,3,3-trifluoro-2-methyl-N-(pyrimidin-2-yl)-2-(trifluoromethyl)propanamide
CID 1931180
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870
N-(pyrimidin-2-yl)hexanamide
CID 4250539
3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196
N-(pyrimidin-2-yl)cyclobutanecarboxamide
CID 4117824
2,2,3,3,4,4,4-heptafluoro-N-pyrimidin-2-ylbutanamide
CID 168292262
N-[4-(Trimethylstannyl)-2-pyrimidinyl]acetamide
CID 11483414

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide?
The IUPAC name of 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide (CID 114291024) is 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide is CCC(C)(C#N)C(=O)Nc1ncccn1.
What is the InChIKey of 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide?
The InChIKey is XFCHXJFVHJHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-10(2,7-11)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide?
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide has a molecular weight of 204.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 114291024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).