4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine

C15H13ClN2OS — CID 43329294

IUPAC4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(COc3ccccc3)nc(Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(16)17-12(18-15)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQUTWPCNHMUAGSB-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine (PubChem CID 43329294) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
PubChem CID43329294
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(COc3ccccc3)nc(Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(16)17-12(18-15)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyQUTWPCNHMUAGSB-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine (CID 43329294) is 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine is Cc1sc2nc(COc3ccccc3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine?
The InChIKey is QUTWPCNHMUAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(16)17-12(18-15)8-19-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 43329294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).