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

C14H10Cl2N2OS — CID 62187776

IUPAC4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1cc(Cl)ccc1OCc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H10Cl2N2OS/c1-8-6-9(15)2-3-11(8)19-7-12-17-13(16)10-4-5-20-14(10)18-12/h2-6H,7H2,1H3
InChIKeyPDLPBYAIBXKGKE-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.89
Rot. Bonds3

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

4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine (PubChem CID 62187776) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
PubChem CID62187776
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
SMILESCc1cc(Cl)ccc1OCc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C14H10Cl2N2OS/c1-8-6-9(15)2-3-11(8)19-7-12-17-13(16)10-4-5-20-14(10)18-12/h2-6H,7H2,1H3
InChIKeyPDLPBYAIBXKGKE-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(4-chloro-3,5-dimethylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63479626
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62194594
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
CID 82169650
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine (CID 62187776) is 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine is Cc1cc(Cl)ccc1OCc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is PDLPBYAIBXKGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-8-6-9(15)2-3-11(8)19-7-12-17-13(16)10-4-5-20-14(10)18-12/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine?
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 325.22 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 62187776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).