4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol

C17H18ClN3OS — CID 166419786

IUPAC4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
SMILESCC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
InChIInChI=1S/C17H18ClN3OS/c1-10(2)7-12-9-23-16-14(12)15(20-17(18)21-16)19-8-11-3-5-13(22)6-4-11/h3-6,9-10,22H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyYIQKPRJGVXDOJZ-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.86
Rot. Bonds5

About 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol

4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol (PubChem CID 166419786) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
PubChem CID166419786
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
SMILESCC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
InChIInChI=1S/C17H18ClN3OS/c1-10(2)7-12-9-23-16-14(12)15(20-17(18)21-16)19-8-11-3-5-13(22)6-4-11/h3-6,9-10,22H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyYIQKPRJGVXDOJZ-UHFFFAOYSA-N
XLogP4.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol with MolForge

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Related Compounds

4-[[[2-chloro-5-(2-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
CID 166419807
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196702
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 71888229
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 86806524
5-methyl-3-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]-1H-pyridin-2-one
CID 167950213
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 47054274
2-chloro-N-(3-methylbutyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 82066650
methyl 2-hydroxy-2-methyl-3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 75508860
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
2-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71891771
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol (CID 166419786) is 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol is CC(C)Cc1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12.
What is the InChIKey of 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The InChIKey is YIQKPRJGVXDOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c1-10(2)7-12-9-23-16-14(12)15(20-17(18)21-16)19-8-11-3-5-13(22)6-4-11/h3-6,9-10,22H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol has a molecular weight of 347.87 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-chloro-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 166419786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).