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

C15H15N3OS2 — CID 63649558

IUPACN-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2ccc(SC)cc2)nc2sccc12
InChIInChI=1S/C15H15N3OS2/c1-16-14-12-7-8-21-15(12)18-13(17-14)9-19-10-3-5-11(20-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,17,18)
InChIKeyRROCHZWQLRPUHA-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.03
Rot. Bonds5

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

N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63649558) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID63649558
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2ccc(SC)cc2)nc2sccc12
InChIInChI=1S/C15H15N3OS2/c1-16-14-12-7-8-21-15(12)18-13(17-14)9-19-10-3-5-11(20-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,17,18)
InChIKeyRROCHZWQLRPUHA-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193522
2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193620
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 63649558) is N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is CNc1nc(COc2ccc(SC)cc2)nc2sccc12.
What is the InChIKey of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RROCHZWQLRPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-16-14-12-7-8-21-15(12)18-13(17-14)9-19-10-3-5-11(20-2)6-4-10/h3-8H,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).