2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C16H21N5O2S — CID 124942190

IUPAC2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-10-9-24-16(17-10)20-14-6-13(18-11(2)19-14)12-4-5-21(7-12)15(22)8-23-3/h6,9,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20)/t12-/m1/s1
InChIKeyASYOVMABLBWSIG-GFCCVEGCSA-N
MW347.44 g/mol
LogP2.26
Rot. Bonds5

About 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124942190) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID124942190
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-10-9-24-16(17-10)20-14-6-13(18-11(2)19-14)12-4-5-21(7-12)15(22)8-23-3/h6,9,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20)/t12-/m1/s1
InChIKeyASYOVMABLBWSIG-GFCCVEGCSA-N
XLogP2.26
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone 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

1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095429
2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110096032
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412
N-[6-[(3S)-1-ethylpyrrolidin-3-yl]-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 124985635
2-methoxy-1-[(3R)-3-[2-methyl-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124969001
(E)-3-(1H-imidazol-5-yl)-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 132765965
2-methoxy-1-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269592
2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 155985337
2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95842353
1-[(3S)-3-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124999407
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 124942190) is 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1.
What is the InChIKey of 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ASYOVMABLBWSIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-9-24-16(17-10)20-14-6-13(18-11(2)19-14)12-4-5-21(7-12)15(22)8-23-3/h6,9,12H,4-5,7-8H2,1-3H3,(H,17,18,19,20)/t12-/m1/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124942190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).