2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C10H12ClN3OS — CID 82066585

IUPAC2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1sc2nc(Cl)nc(NCCO)c2c1C
InChIInChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySKSYQNBCVGEAKH-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.37
Rot. Bonds3

About 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 82066585) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID82066585
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1sc2nc(Cl)nc(NCCO)c2c1C
InChIInChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySKSYQNBCVGEAKH-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832
2-chloro-N-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 18460355
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
2-[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 93214379
2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
CID 175104832
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
ethyl 2-chloro-4-(2-methoxyethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82066698
3-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 17410711
3-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 9280410
2-methoxyethyl 4-(2-aminoethylamino)-2-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82065587
2-[4-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 82066106

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 82066585) is 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1sc2nc(Cl)nc(NCCO)c2c1C.
What is the InChIKey of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is SKSYQNBCVGEAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 257.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 82066585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).