2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide

C12H18N4O2S — CID 107600478

IUPAC2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S
InChIInChI=1S/C12H18N4O2S/c1-5-12(3,9(13)19)10(17)16-11-14-7(2)6-8(15-11)18-4/h6H,5H2,1-4H3,(H2,13,19)(H,14,15,16,17)
InChIKeyAGVADTZANFBLJS-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.43
Rot. Bonds5

About 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide

2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide (PubChem CID 107600478) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
PubChem CID107600478
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S
InChIInChI=1S/C12H18N4O2S/c1-5-12(3,9(13)19)10(17)16-11-14-7(2)6-8(15-11)18-4/h6H,5H2,1-4H3,(H2,13,19)(H,14,15,16,17)
InChIKeyAGVADTZANFBLJS-UHFFFAOYSA-N
XLogP1.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylpropanamide
CID 107600141
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600470
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
(2R)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600196
(2S)-2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
CID 107600159
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133
methyl N-(4-methoxy-6-methylpyrimidin-2-yl)carbamodithioate
CID 117062845
2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
CID 107600498

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide (CID 107600478) is 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide is CCC(C)(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide?
The InChIKey is AGVADTZANFBLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-5-12(3,9(13)19)10(17)16-11-14-7(2)6-8(15-11)18-4/h6H,5H2,1-4H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide?
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide has a molecular weight of 282.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide is sourced from PubChem (CID 107600478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).