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

C15H20N6OS — CID 95842864

IUPAC2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C15H20N6OS/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)
InChIKeyUZDZXPAGEMGYLD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.44
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

2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone (PubChem CID 95842864) has the molecular formula C15H20N6OS and a molecular weight of 332.43 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.

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
PubChem CID95842864
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone
SMILESCNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C15H20N6OS/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)
InChIKeyUZDZXPAGEMGYLD-UHFFFAOYSA-N
XLogP1.44
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 145990833
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-amino-1,3-thiazol-4-yl)methanone
CID 145989284
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842477
1-[3-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
N-allyl-2-cyclopropyl-7-(1,3-thiazol-4-ylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56886135
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
6-isobutyl-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4-carboxamide
CID 56757094
2-amino-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992433
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

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?
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 (CID 95842864) is 2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone.
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?
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 is CNCC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1.
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?
The InChIKey is UZDZXPAGEMGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/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).
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?
2-(methylamino)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]azetidin-1-yl]ethanone has a molecular weight of 332.43 g/mol, XLogP of 1.44, 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 is sourced from PubChem (CID 95842864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).