4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine

C14H11ClN2OS — CID 62188989

IUPAC4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1ccccc1OCc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)18-8-12-16-13(15)10-6-7-19-14(10)17-12/h2-7H,8H2,1H3
InChIKeyMMSCLQQOMZMCRK-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.23
Rot. Bonds3

About 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine

4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine (PubChem CID 62188989) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
PubChem CID62188989
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1ccccc1OCc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)18-8-12-16-13(15)10-6-7-19-14(10)17-12/h2-7H,8H2,1H3
InChIKeyMMSCLQQOMZMCRK-UHFFFAOYSA-N
XLogP4.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine (CID 62188989) is 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine is Cc1ccccc1OCc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is MMSCLQQOMZMCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-4-2-3-5-11(9)18-8-12-16-13(15)10-6-7-19-14(10)17-12/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 62188989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).