[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone

C19H20N4O2S — CID 135100189

IUPAC[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-12-20-17(14-8-10-26-18(14)21-12)22-15-7-9-23(11-16(15)24)19(25)13-5-3-2-4-6-13/h2-6,8,10,15-16,24H,7,9,11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
InChIKeyGLINPMUMCSFRFL-HZPDHXFCSA-N
MW368.46 g/mol
LogP2.69
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone

[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone (PubChem CID 135100189) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
PubChem CID135100189
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
SMILESCc1nc(N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c2ccsc2n1
InChIInChI=1S/C19H20N4O2S/c1-12-20-17(14-8-10-26-18(14)21-12)22-15-7-9-23(11-16(15)24)19(25)13-5-3-2-4-6-13/h2-6,8,10,15-16,24H,7,9,11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
InChIKeyGLINPMUMCSFRFL-HZPDHXFCSA-N
XLogP2.69
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone 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

phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803
[(3S,4S)-4-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-3-hydroxypiperidin-1-yl]-phenylmethanone
CID 164636743
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015
[(3R,4R)-3-hydroxy-4-[(4-methylphthalazin-1-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 118780699
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784172
(3-aminopiperidin-1-yl)-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784168
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide
CID 135105481
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667
N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 135094429
[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
CID 70313001
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone (CID 135100189) is [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone is Cc1nc(N[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]2O)c2ccsc2n1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is GLINPMUMCSFRFL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-20-17(14-8-10-26-18(14)21-12)22-15-7-9-23(11-16(15)24)19(25)13-5-3-2-4-6-13/h2-6,8,10,15-16,24H,7,9,11H2,1H3,(H,20,21,22)/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone?
[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 368.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 135100189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).