6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C17H19N3O3S — CID 133407869

IUPAC6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)c(OC)cc1CNc1ncnc2sc(C)cc12
InChIInChI=1S/C17H19N3O3S/c1-10-5-12-16(19-9-20-17(12)24-10)18-8-11-6-14(22-3)15(23-4)7-13(11)21-2/h5-7,9H,8H2,1-4H3,(H,18,19,20)
InChIKeyGEHWANDMHSSEQD-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.64
Rot. Bonds6

About 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133407869) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133407869
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)c(OC)cc1CNc1ncnc2sc(C)cc12
InChIInChI=1S/C17H19N3O3S/c1-10-5-12-16(19-9-20-17(12)24-10)18-8-11-6-14(22-3)15(23-4)7-13(11)21-2/h5-7,9H,8H2,1-4H3,(H,18,19,20)
InChIKeyGEHWANDMHSSEQD-UHFFFAOYSA-N
XLogP3.64
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[(2,4,5-trimethoxyphenyl)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

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-[(2-ethoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408919
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409041
6-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407915
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 65035565
2-methyl-N-[4-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]propanamide
CID 133408641
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103700761
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 133408802

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133407869) is 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1cc(OC)c(OC)cc1CNc1ncnc2sc(C)cc12.
What is the InChIKey of 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GEHWANDMHSSEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-5-12-16(19-9-20-17(12)24-10)18-8-11-6-14(22-3)15(23-4)7-13(11)21-2/h5-7,9H,8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133407869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).