N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C18H22N4OS — CID 133447047

IUPACN-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCc1nc(NCCN(C)C)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H22N4OS/c1-22(2)10-9-19-17-16-14(13-7-5-4-6-8-13)12-24-18(16)21-15(20-17)11-23-3/h4-8,12H,9-11H2,1-3H3,(H,19,20,21)
InChIKeyFMWZVUBSSIHOGL-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 133447047) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID133447047
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCc1nc(NCCN(C)C)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H22N4OS/c1-22(2)10-9-19-17-16-14(13-7-5-4-6-8-13)12-24-18(16)21-15(20-17)11-23-3/h4-8,12H,9-11H2,1-3H3,(H,19,20,21)
InChIKeyFMWZVUBSSIHOGL-UHFFFAOYSA-N
XLogP3.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 133447047) is N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is COCc1nc(NCCN(C)C)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is FMWZVUBSSIHOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-22(2)10-9-19-17-16-14(13-7-5-4-6-8-13)12-24-18(16)21-15(20-17)11-23-3/h4-8,12H,9-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 342.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 133447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).