(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

C15H16N4OS — CID 131703845

IUPAC(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESCSc1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1
InChIInChI=1S/C15H16N4OS/c1-21-13-4-2-11(3-5-13)15(20)19-8-12(9-19)18-14-6-7-16-10-17-14/h2-7,10,12H,8-9H2,1H3,(H,16,17,18)
InChIKeyBRDHLMMOFHVJSG-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.13
Rot. Bonds4

About (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (PubChem CID 131703845) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
PubChem CID131703845
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESCSc1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1
InChIInChI=1S/C15H16N4OS/c1-21-13-4-2-11(3-5-13)15(20)19-8-12(9-19)18-14-6-7-16-10-17-14/h2-7,10,12H,8-9H2,1H3,(H,16,17,18)
InChIKeyBRDHLMMOFHVJSG-UHFFFAOYSA-N
XLogP2.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone 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

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
CID 126851226
3-phenyl-1-[3-(pyrimidin-4-ylamino)azetidin-1-yl]propan-1-one
CID 166315716
molecular hydrogen;N-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 144655649
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
CID 167327659
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
(4-methylsulfanylphenyl)-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]methanone
CID 163353374
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075
5-methyl-1-(4-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122119170
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (CID 131703845) is (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is CSc1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The InChIKey is BRDHLMMOFHVJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-21-13-4-2-11(3-5-13)15(20)19-8-12(9-19)18-14-6-7-16-10-17-14/h2-7,10,12H,8-9H2,1H3,(H,16,17,18).
What are the key properties of (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
(4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone has a molecular weight of 300.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 131703845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).