2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol

C19H21ClN4OS — CID 143206607

IUPAC2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCc1c(Cl)sc2ncnc(NC3CCN(Cc4ccccc4O)CC3)c12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20)23-14-6-8-24(9-7-14)10-13-4-2-3-5-15(13)25/h2-5,11,14,25H,6-10H2,1H3,(H,21,22,23)
InChIKeyAKUDLBGGLLEXNV-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.44
Rot. Bonds4

About 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol

2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol (PubChem CID 143206607) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol
PubChem CID143206607
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol
SMILESCc1c(Cl)sc2ncnc(NC3CCN(Cc4ccccc4O)CC3)c12
InChIInChI=1S/C19H21ClN4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20)23-14-6-8-24(9-7-14)10-13-4-2-3-5-15(13)25/h2-5,11,14,25H,6-10H2,1H3,(H,21,22,23)
InChIKeyAKUDLBGGLLEXNV-UHFFFAOYSA-N
XLogP4.44
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 146134508
N-(1-benzylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine;ethane
CID 91532309
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
N-[1-[(2-aminophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;[4-[(1-benzylpiperidin-4-yl)amino]-6-ethylthieno[2,3-d]pyrimidin-5-yl]methanol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzene-1,3-diol;2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenol;[2-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]phenyl]methanol
CID 162119091
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 119047224
N-(1-ethylpiperidin-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 8566000
4-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 62318881
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
(7R)-N-(1-ethylpiperidin-4-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 8566008

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol (CID 143206607) is 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol is Cc1c(Cl)sc2ncnc(NC3CCN(Cc4ccccc4O)CC3)c12.
What is the InChIKey of 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol?
The InChIKey is AKUDLBGGLLEXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12-16-18(21-11-22-19(16)26-17(12)20)23-14-6-8-24(9-7-14)10-13-4-2-3-5-15(13)25/h2-5,11,14,25H,6-10H2,1H3,(H,21,22,23).
What are the key properties of 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol?
2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol has a molecular weight of 388.92 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-chloro-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 143206607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).