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

C12H18N4O2S — CID 107600470

IUPAC2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S
InChIInChI=1S/C12H18N4O2S/c1-4-5-8(10(13)19)11(17)16-12-14-7(2)6-9(15-12)18-3/h6,8H,4-5H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyVSAOFJYTEMFXOY-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.43
Rot. Bonds6

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

2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide (PubChem CID 107600470) 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)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
PubChem CID107600470
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide
SMILESCCCC(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S
InChIInChI=1S/C12H18N4O2S/c1-4-5-8(10(13)19)11(17)16-12-14-7(2)6-9(15-12)18-3/h6,8H,4-5H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyVSAOFJYTEMFXOY-UHFFFAOYSA-N
XLogP1.43
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

(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
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-methylbutanamide
CID 107600478
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
CID 107600498
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
2-carbamothioyl-N-(4-fluoro-3-methoxyphenyl)pentanamide
CID 114839881
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
2-carbamothioyl-N-pyrimidin-5-ylpentanamide
CID 107588767
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
methyl N-(4-methoxy-6-methylpyrimidin-2-yl)carbamodithioate
CID 117062845

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide?
The IUPAC name of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide (CID 107600470) is 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide?
The canonical SMILES for 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide is CCCC(C(=O)Nc1nc(C)cc(OC)n1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide?
The InChIKey is VSAOFJYTEMFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-4-5-8(10(13)19)11(17)16-12-14-7(2)6-9(15-12)18-3/h6,8H,4-5H2,1-3H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide?
2-carbamothioyl-N-(4-methoxy-6-methylpyrimidin-2-yl)pentanamide has a molecular weight of 282.37 g/mol, XLogP of 1.43, 6 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)pentanamide is sourced from PubChem (CID 107600470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).