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

C15H15N3S — CID 55130279

IUPAC2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cc2nc(N)c3ccsc3n2)cc1C
InChIInChI=1S/C15H15N3S/c1-9-3-4-11(7-10(9)2)8-13-17-14(16)12-5-6-19-15(12)18-13/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyGAOIEGZPNUHDSZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.48
Rot. Bonds2

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

2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55130279) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID55130279
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cc2nc(N)c3ccsc3n2)cc1C
InChIInChI=1S/C15H15N3S/c1-9-3-4-11(7-10(9)2)8-13-17-14(16)12-5-6-19-15(12)18-13/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyGAOIEGZPNUHDSZ-UHFFFAOYSA-N
XLogP3.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55086666
2-[(2,4,6-trimethylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188361
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108247
2-[(3,4-dimethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62904201
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184253
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 55130279) is 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Cc2nc(N)c3ccsc3n2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GAOIEGZPNUHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-3-4-11(7-10(9)2)8-13-17-14(16)12-5-6-19-15(12)18-13/h3-7H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55130279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).