(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol

C22H28N4OS — CID 97246173

IUPAC(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCC(Nc2nc(C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H28N4OS/c1-3-18(27)13-26-11-9-17(10-12-26)25-21-20-19(16-7-5-4-6-8-16)14-28-22(20)24-15(2)23-21/h4-8,14,17-18,27H,3,9-13H2,1-2H3,(H,23,24,25)/t18-/m1/s1
InChIKeyPXEQFZWTONICAA-GOSISDBHSA-N
MW396.56 g/mol
LogP4.31
Rot. Bonds6

About (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol

(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol (PubChem CID 97246173) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
PubChem CID97246173
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCC(Nc2nc(C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H28N4OS/c1-3-18(27)13-26-11-9-17(10-12-26)25-21-20-19(16-7-5-4-6-8-16)14-28-22(20)24-15(2)23-21/h4-8,14,17-18,27H,3,9-13H2,1-2H3,(H,23,24,25)/t18-/m1/s1
InChIKeyPXEQFZWTONICAA-GOSISDBHSA-N
XLogP4.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417765
2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 28851890
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133281591
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968
2-(methoxymethyl)-5-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133279214
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 60503194
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol (CID 97246173) is (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCC(Nc2nc(C)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
The InChIKey is PXEQFZWTONICAA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-3-18(27)13-26-11-9-17(10-12-26)25-21-20-19(16-7-5-4-6-8-16)14-28-22(20)24-15(2)23-21/h4-8,14,17-18,27H,3,9-13H2,1-2H3,(H,23,24,25)/t18-/m1/s1.
What are the key properties of (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol?
(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol has a molecular weight of 396.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 97246173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).