(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C16H27N5O3S — CID 146113339

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CC(CS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C16H27N5O3S/c1-19(2)8-13-4-14(22)9-21(13)16-5-15(17-11-18-16)20-6-12(7-20)10-25(3,23)24/h5,11-14,22H,4,6-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyMSBSRMJMGQZZKC-ZIAGYGMSSA-N
MW369.49 g/mol
LogP-0.54
Rot. Bonds6

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 146113339) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID146113339
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CC(CS(C)(=O)=O)C2)ncn1
InChIInChI=1S/C16H27N5O3S/c1-19(2)8-13-4-14(22)9-21(13)16-5-15(17-11-18-16)20-6-12(7-20)10-25(3,23)24/h5,11-14,22H,4,6-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyMSBSRMJMGQZZKC-ZIAGYGMSSA-N
XLogP-0.54
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 146113339) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CC(CS(C)(=O)=O)C2)ncn1.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MSBSRMJMGQZZKC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-19(2)8-13-4-14(22)9-21(13)16-5-15(17-11-18-16)20-6-12(7-20)10-25(3,23)24/h5,11-14,22H,4,6-10H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 369.49 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 146113339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).