1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H19N5O3S — CID 66051432

IUPAC1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H19N5O3S/c1-15(2)6-8-3-9(17)7-16(8)20(18,19)10-4-13-11(12)14-5-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyOJLPEIWILYRDJG-UHFFFAOYSA-N
MW301.37 g/mol
LogP-1.26
Rot. Bonds4

About 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66051432) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66051432
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H19N5O3S/c1-15(2)6-8-3-9(17)7-16(8)20(18,19)10-4-13-11(12)14-5-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyOJLPEIWILYRDJG-UHFFFAOYSA-N
XLogP-1.26
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66051432) is 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is OJLPEIWILYRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-15(2)6-8-3-9(17)7-16(8)20(18,19)10-4-13-11(12)14-5-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 301.37 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66051432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).