2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride

C15H21ClN6OS — CID 118741903

IUPAC2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride
SMILESCNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1.Cl
InChIInChI=1S/C15H20N6OS.ClH/c1-9-8-23-15(17-9)20-13-4-12(18-10(2)19-13)11-6-21(7-11)14(22)5-16-3;/h4,8,11,16H,5-7H2,1-3H3,(H,17,18,19,20);1H
InChIKeyHKFSAEOLNXSJDV-UHFFFAOYSA-N
MW368.89 g/mol
LogP1.86
Rot. Bonds5

About 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride

2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride (PubChem CID 118741903) has the molecular formula C15H21ClN6OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride
PubChem CID118741903
Molecular FormulaC15H21ClN6OS
Molecular Weight368.89 g/mol
Exact Mass368.12
IUPAC Name2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride
SMILESCNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1.Cl
InChIInChI=1S/C15H20N6OS.ClH/c1-9-8-23-15(17-9)20-13-4-12(18-10(2)19-13)11-6-21(7-11)14(22)5-16-3;/h4,8,11,16H,5-7H2,1-3H3,(H,17,18,19,20);1H
InChIKeyHKFSAEOLNXSJDV-UHFFFAOYSA-N
XLogP1.86
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride (CID 118741903) is 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride is CNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1.Cl.
What is the InChIKey of 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride?
The InChIKey is HKFSAEOLNXSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS.ClH/c1-9-8-23-15(17-9)20-13-4-12(18-10(2)19-13)11-6-21(7-11)14(22)5-16-3;/h4,8,11,16H,5-7H2,1-3H3,(H,17,18,19,20);1H.
What are the key properties of 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride?
2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 118741903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).