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

C15H13ClN2OS2 — CID 62026693

IUPAC2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
SMILESCc1sc2nc(CSc3ccccc3O)nc(Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS2/c1-8-9(2)21-15-13(8)14(16)17-12(18-15)7-20-11-6-4-3-5-10(11)19/h3-6,19H,7H2,1-2H3
InChIKeyDKJOZEHZUSROJX-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.96
Rot. Bonds3

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

2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol (PubChem CID 62026693) has the molecular formula C15H13ClN2OS2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
PubChem CID62026693
Molecular FormulaC15H13ClN2OS2
Molecular Weight336.87 g/mol
Exact Mass336.02
IUPAC Name2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
SMILESCc1sc2nc(CSc3ccccc3O)nc(Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS2/c1-8-9(2)21-15-13(8)14(16)17-12(18-15)7-20-11-6-4-3-5-10(11)19/h3-6,19H,7H2,1-2H3
InChIKeyDKJOZEHZUSROJX-UHFFFAOYSA-N
XLogP4.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 107779311
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
4-chloro-5,6-dimethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 60875988
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol (CID 62026693) is 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol is Cc1sc2nc(CSc3ccccc3O)nc(Cl)c2c1C.
What is the InChIKey of 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol?
The InChIKey is DKJOZEHZUSROJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS2/c1-8-9(2)21-15-13(8)14(16)17-12(18-15)7-20-11-6-4-3-5-10(11)19/h3-6,19H,7H2,1-2H3.
What are the key properties of 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol?
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol has a molecular weight of 336.87 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 62026693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).