[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H15N5O3S — CID 168681741

IUPAC[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(N)nc(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C10H15N5O3S/c1-6-2-8(11)14-10(13-6)15-4-7(3-9(15)16)5-19(12,17)18/h2,7H,3-5H2,1H3,(H2,11,13,14)(H2,12,17,18)
InChIKeyRVBQIVWABOJGLJ-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.99
Rot. Bonds3

About [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681741) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681741
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1cc(N)nc(N2CC(CS(N)(=O)=O)CC2=O)n1
InChIInChI=1S/C10H15N5O3S/c1-6-2-8(11)14-10(13-6)15-4-7(3-9(15)16)5-19(12,17)18/h2,7H,3-5H2,1H3,(H2,11,13,14)(H2,12,17,18)
InChIKeyRVBQIVWABOJGLJ-UHFFFAOYSA-N
XLogP-0.99
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714658
1-(4-amino-6-methylpyrimidin-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709149
[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681301
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681788
[1-(6-bromo-4-methyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681589
[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683290
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(4-aminoquinazolin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683303
4-(aminomethyl)-1-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168659951

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681741) is [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1cc(N)nc(N2CC(CS(N)(=O)=O)CC2=O)n1.
What is the InChIKey of [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is RVBQIVWABOJGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-6-2-8(11)14-10(13-6)15-4-7(3-9(15)16)5-19(12,17)18/h2,7H,3-5H2,1H3,(H2,11,13,14)(H2,12,17,18).
What are the key properties of [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).