N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine

C15H18N4O2S — CID 121187620

IUPACN-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C15H18N4O2S/c20-22(21,10-7-13-5-2-1-3-6-13)19-11-14(12-19)18-15-16-8-4-9-17-15/h1-6,8-9,14H,7,10-12H2,(H,16,17,18)
InChIKeyKGIFRPMUNVGTSQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.15
Rot. Bonds6

About N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine

N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine (PubChem CID 121187620) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
PubChem CID121187620
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine
SMILESO=S(=O)(CCc1ccccc1)N1CC(Nc2ncccn2)C1
InChIInChI=1S/C15H18N4O2S/c20-22(21,10-7-13-5-2-1-3-6-13)19-11-14(12-19)18-15-16-8-4-9-17-15/h1-6,8-9,14H,7,10-12H2,(H,16,17,18)
InChIKeyKGIFRPMUNVGTSQ-UHFFFAOYSA-N
XLogP1.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(1S,5R)-8-(2-phenylethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidin-2-amine
CID 69414535
N-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187664
3-(benzenesulfonyl)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]propan-1-one
CID 121187360
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
1-(2-pyridin-4-ylethylsulfonyl)azetidin-3-ol
CID 63106804
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
2-(2-phenylethylsulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 86768437
4-methyl-2-(2-phenylethylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 110750626
3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577246
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
N-[1-(3-chlorophenyl)sulfonylazetidin-3-yl]pyrimidin-2-amine
CID 121187627

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine (CID 121187620) is N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine is O=S(=O)(CCc1ccccc1)N1CC(Nc2ncccn2)C1.
What is the InChIKey of N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine?
The InChIKey is KGIFRPMUNVGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-22(21,10-7-13-5-2-1-3-6-13)19-11-14(12-19)18-15-16-8-4-9-17-15/h1-6,8-9,14H,7,10-12H2,(H,16,17,18).
What are the key properties of N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine?
N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine has a molecular weight of 318.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethylsulfonyl)azetidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 121187620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).