2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H9Cl2N3OS — CID 62194594

IUPAC2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccc(Cl)cc2Cl)nc2sccc12
InChIInChI=1S/C13H9Cl2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18)
InChIKeyVMNZJIKAOQHTMO-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.16
Rot. Bonds3

About 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62194594) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62194594
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccc(Cl)cc2Cl)nc2sccc12
InChIInChI=1S/C13H9Cl2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18)
InChIKeyVMNZJIKAOQHTMO-UHFFFAOYSA-N
XLogP4.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
5-chloro-6-[(2,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62887044
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62194594) is 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COc2ccc(Cl)cc2Cl)nc2sccc12.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VMNZJIKAOQHTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18).
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 326.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62194594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).