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

C13H10ClN3OS — CID 62193520

IUPAC2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2Cl)nc2sccc12
InChIInChI=1S/C13H10ClN3OS/c14-9-3-1-2-4-10(9)18-7-11-16-12(15)8-5-6-19-13(8)17-11/h1-6H,7H2,(H2,15,16,17)
InChIKeyXFRCQVJGNBLRNQ-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.51
Rot. Bonds3

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

2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193520) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62193520
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2Cl)nc2sccc12
InChIInChI=1S/C13H10ClN3OS/c14-9-3-1-2-4-10(9)18-7-11-16-12(15)8-5-6-19-13(8)17-11/h1-6H,7H2,(H2,15,16,17)
InChIKeyXFRCQVJGNBLRNQ-UHFFFAOYSA-N
XLogP3.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62194594
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193500
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
4-chloro-2-[(2,4,5-trichlorophenoxy)methyl]thieno[2,3-d]pyrimidine
CID 63480590
2-[(2-bromo-4-chlorophenoxy)methyl]-4-chlorothieno[2,3-d]pyrimidine
CID 62187778
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
2-(oxan-4-yloxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189057
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
2-[(2-aminophenoxy)methyl]quinazolin-4-amine
CID 61026770
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
2-(2-cyclopropylethoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 114157912

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62193520) is 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COc2ccccc2Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XFRCQVJGNBLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-9-3-1-2-4-10(9)18-7-11-16-12(15)8-5-6-19-13(8)17-11/h1-6H,7H2,(H2,15,16,17).
What are the key properties of 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).