2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C16H17N3OS — CID 62193522

IUPAC2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2cc(C)ccc2C)nc2sccc12
InChIInChI=1S/C16H17N3OS/c1-10-4-5-11(2)13(8-10)20-9-14-18-15(17-3)12-6-7-21-16(12)19-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyZQPRRERXKHDCKQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193522) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62193522
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COc2cc(C)ccc2C)nc2sccc12
InChIInChI=1S/C16H17N3OS/c1-10-4-5-11(2)13(8-10)20-9-14-18-15(17-3)12-6-7-21-16(12)19-14/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyZQPRRERXKHDCKQ-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-2-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62193620
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63649558
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
2-(2-methoxy-4-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 106792983
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62189947
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781
2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184069
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62193522) is 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(COc2cc(C)ccc2C)nc2sccc12.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZQPRRERXKHDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-4-5-11(2)13(8-10)20-9-14-18-15(17-3)12-6-7-21-16(12)19-14/h4-8H,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).