6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide

C13H19N5OS — CID 107548002

IUPAC6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H19N5OS/c1-9-8-10(12(14)20)17-13(16-9)15-5-4-11(19)18-6-2-3-7-18/h8H,2-7H2,1H3,(H2,14,20)(H,15,16,17)
InChIKeyUSMISFOSBQTDPM-UHFFFAOYSA-N
MW293.40 g/mol
LogP0.84
Rot. Bonds5

About 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide

6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide (PubChem CID 107548002) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
PubChem CID107548002
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C13H19N5OS/c1-9-8-10(12(14)20)17-13(16-9)15-5-4-11(19)18-6-2-3-7-18/h8H,2-7H2,1H3,(H2,14,20)(H,15,16,17)
InChIKeyUSMISFOSBQTDPM-UHFFFAOYSA-N
XLogP0.84
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 50.84
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

3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
6-methyl-2-(2-piperidin-1-ylethylamino)pyrimidine-4-carbothioamide
CID 107546988
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931
2-(cyclopentylmethylamino)-6-methylpyrimidine-4-carbothioamide
CID 107546594
6-methyl-2-[(2-methylcyclopropyl)methylamino]pyrimidine-4-carbothioamide
CID 107548041
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-6-methylpyrimidine-4-carbothioamide
CID 107548151
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546417
2-(3-butoxypropylamino)-6-methylpyrimidine-4-carbothioamide
CID 107548070
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbothioamide
CID 107547891
6-methyl-2-(methylamino)pyrimidine-4-carbothioamide
CID 107546167

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide (CID 107548002) is 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(NCCC(=O)N2CCCC2)n1.
What is the InChIKey of 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide?
The InChIKey is USMISFOSBQTDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-8-10(12(14)20)17-13(16-9)15-5-4-11(19)18-6-2-3-7-18/h8H,2-7H2,1H3,(H2,14,20)(H,15,16,17).
What are the key properties of 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide has a molecular weight of 293.40 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).