2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide

C10H14N4OS — CID 114291865

IUPAC2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide
SMILESCCC(C)(C(=O)Nc1ncccn1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-3-10(2,7(11)16)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H2,11,16)(H,12,13,14,15)
InChIKeyGOCXEURRUSHRMF-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.12
Rot. Bonds4

About 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide

2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide (PubChem CID 114291865) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide
PubChem CID114291865
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide
SMILESCCC(C)(C(=O)Nc1ncccn1)C(N)=S
InChIInChI=1S/C10H14N4OS/c1-3-10(2,7(11)16)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H2,11,16)(H,12,13,14,15)
InChIKeyGOCXEURRUSHRMF-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
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
1-Dodecanoyl-3-(2-pyrimidinyl)-2-thiourea
CID 3689965
2,2-dimethyl-N-[(2-pyrimidinylamino)carbonothioyl]propanamide
CID 2921686
N-2-Pyrimidinylpropanamide
CID 4622992
2-Isobutyroylaminopyrimidine
CID 4694130

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide (CID 114291865) is 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide is CCC(C)(C(=O)Nc1ncccn1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide?
The InChIKey is GOCXEURRUSHRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-10(2,7(11)16)8(15)14-9-12-5-4-6-13-9/h4-6H,3H2,1-2H3,(H2,11,16)(H,12,13,14,15).
What are the key properties of 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide?
2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide has a molecular weight of 238.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-pyrimidin-2-ylbutanamide is sourced from PubChem (CID 114291865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).