tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate

C19H28N6O2S — CID 166462649

IUPACtert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate
SMILESCc1cc(Nc2ncc(C)c(N3CC(C)(CNC(=O)OC(C)(C)C)C3)n2)sn1
InChIInChI=1S/C19H28N6O2S/c1-12-8-20-16(22-14-7-13(2)24-28-14)23-15(12)25-10-19(6,11-25)9-21-17(26)27-18(3,4)5/h7-8H,9-11H2,1-6H3,(H,21,26)(H,20,22,23)
InChIKeyZVMCNLJTRVPYNJ-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.64
Rot. Bonds5

About tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate

tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate (PubChem CID 166462649) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate
PubChem CID166462649
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Nametert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate
SMILESCc1cc(Nc2ncc(C)c(N3CC(C)(CNC(=O)OC(C)(C)C)C3)n2)sn1
InChIInChI=1S/C19H28N6O2S/c1-12-8-20-16(22-14-7-13(2)24-28-14)23-15(12)25-10-19(6,11-25)9-21-17(26)27-18(3,4)5/h7-8H,9-11H2,1-6H3,(H,21,26)(H,20,22,23)
InChIKeyZVMCNLJTRVPYNJ-UHFFFAOYSA-N
XLogP3.64
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate 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

(1S)-2,2-difluoro-N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 166462634
1-[3-(Cyanomethyl)-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 166462635
1-[3-(Cyanomethyl)-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]-3-(1,2,2-trifluoroethyl)urea
CID 175542487
N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 176723549
4,4-difluoro-N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]pyrrolidine-3-carboxamide
CID 176723578
N-[4-[3-(2,2-difluoroethyl)-3-methylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 176723587
Tert-butyl 3,3-difluoro-4-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 176723608
Tert-butyl 3,3-difluoro-4-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 176723641
tert-butyl N-methyl-N-[(2S)-1-[5-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]carbamate
CID 90052342
(2S)-2-(methylamino)-N-[5-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynyl]propanamide
CID 90052504
Tert-butyl (3-((5-chloro-2-((3-methylisothiazol-5-yl)amino)pyrimidin-4-yl)amino)cyclohexyl)carbamate
CID 117917216
tert-butyl N-[1-[5-isocyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]-6-methylpiperidin-3-yl]carbamate
CID 140930406

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate (CID 166462649) is tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate is Cc1cc(Nc2ncc(C)c(N3CC(C)(CNC(=O)OC(C)(C)C)C3)n2)sn1.
What is the InChIKey of tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate?
The InChIKey is ZVMCNLJTRVPYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-12-8-20-16(22-14-7-13(2)24-28-14)23-15(12)25-10-19(6,11-25)9-21-17(26)27-18(3,4)5/h7-8H,9-11H2,1-6H3,(H,21,26)(H,20,22,23).
What are the key properties of tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate?
tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate has a molecular weight of 404.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 166462649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).