2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide

C10H14N4OS — CID 2921686

IUPAC2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ncccn1
InChIInChI=1S/C10H14N4OS/c1-10(2,3)7(15)13-9(16)14-8-11-5-4-6-12-8/h4-6H,1-3H3,(H2,11,12,13,14,15,16)
InChIKeyOJVISKXNLDZIAK-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.34
Rot. Bonds1

About 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide

2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide (PubChem CID 2921686) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide
PubChem CID2921686
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide
SMILESCC(C)(C)C(=O)NC(=S)Nc1ncccn1
InChIInChI=1S/C10H14N4OS/c1-10(2,3)7(15)13-9(16)14-8-11-5-4-6-12-8/h4-6H,1-3H3,(H2,11,12,13,14,15,16)
InChIKeyOJVISKXNLDZIAK-UHFFFAOYSA-N
XLogP1.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide (CID 2921686) is 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide is CC(C)(C)C(=O)NC(=S)Nc1ncccn1.
What is the InChIKey of 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide?
The InChIKey is OJVISKXNLDZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-10(2,3)7(15)13-9(16)14-8-11-5-4-6-12-8/h4-6H,1-3H3,(H2,11,12,13,14,15,16).
What are the key properties of 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide?
2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide has a molecular weight of 238.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyrimidin-2-ylcarbamothioyl)propanamide is sourced from PubChem (CID 2921686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).