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

C15H15N3O2S — CID 57422571

IUPACN-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3scc(C)c23)c1
InChIInChI=1S/C15H15N3O2S/c1-9-7-21-15-13(9)14(16-8-17-15)18-11-6-10(19-2)4-5-12(11)20-3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyBZZJGHCFMYJJTC-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.76
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 57422571) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID57422571
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc3scc(C)c23)c1
InChIInChI=1S/C15H15N3O2S/c1-9-7-21-15-13(9)14(16-8-17-15)18-11-6-10(19-2)4-5-12(11)20-3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyBZZJGHCFMYJJTC-UHFFFAOYSA-N
XLogP3.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
N-(3-chloro-2-methoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 16731202
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
2-methoxyethyl 4-(2,5-dimethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011411
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
4-(2-methoxy-4-methylphenoxy)-5-methylthieno[2,3-d]pyrimidine
CID 91390321
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010174
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010737

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 57422571) is N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(OC)c(Nc2ncnc3scc(C)c23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BZZJGHCFMYJJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-7-21-15-13(9)14(16-8-17-15)18-11-6-10(19-2)4-5-12(11)20-3/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57422571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).