2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

C15H12BrClN2S — CID 63497508

IUPAC2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cc3ccccc3Br)nc(Cl)c2c1C
InChIInChI=1S/C15H12BrClN2S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3
InChIKeyMHINFRSQMHCZRS-UHFFFAOYSA-N
MW367.70 g/mol
LogP5.31
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 63497508) has the molecular formula C15H12BrClN2S and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID63497508
Molecular FormulaC15H12BrClN2S
Molecular Weight367.70 g/mol
Exact Mass365.96
IUPAC Name2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cc3ccccc3Br)nc(Cl)c2c1C
InChIInChI=1S/C15H12BrClN2S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3
InChIKeyMHINFRSQMHCZRS-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.70
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-chloro-5,6-dimethyl-2-[(2-methylfuran-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 107779311
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
CID 66293853
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (CID 63497508) is 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2nc(Cc3ccccc3Br)nc(Cl)c2c1C.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is MHINFRSQMHCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2S/c1-8-9(2)20-15-13(8)14(17)18-12(19-15)7-10-5-3-4-6-11(10)16/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 367.70 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63497508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).