1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

C13H19N5OS — CID 168710708

IUPAC1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESNc1cc(N2CCCCC2)nc(N2CC(S)CC2=O)n1
InChIInChI=1S/C13H19N5OS/c14-10-7-11(17-4-2-1-3-5-17)16-13(15-10)18-8-9(20)6-12(18)19/h7,9,20H,1-6,8H2,(H2,14,15,16)
InChIKeyMUSZIDYDFLKRBX-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.08
Rot. Bonds2

About 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one

1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710708) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710708
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESNc1cc(N2CCCCC2)nc(N2CC(S)CC2=O)n1
InChIInChI=1S/C13H19N5OS/c14-10-7-11(17-4-2-1-3-5-17)16-13(15-10)18-8-9(20)6-12(18)19/h7,9,20H,1-6,8H2,(H2,14,15,16)
InChIKeyMUSZIDYDFLKRBX-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
1-(4-aminopyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710625
6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
4-amino-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pyrimidine-5-carbonitrile
CID 168710214
methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
1-(6-chloro-5-methyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168709069
1-(2-chloro-6-methylpyrimidin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168709142
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 70716303
1-quinazolin-2-yl-4-sulfanylpyrrolidin-2-one
CID 168710740
1-(4-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709982

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168710708) is 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is Nc1cc(N2CCCCC2)nc(N2CC(S)CC2=O)n1.
What is the InChIKey of 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is MUSZIDYDFLKRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-10-7-11(17-4-2-1-3-5-17)16-13(15-10)18-8-9(20)6-12(18)19/h7,9,20H,1-6,8H2,(H2,14,15,16).
What are the key properties of 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 293.40 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-piperidin-1-ylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).