4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C16H18N4S — CID 103328357

IUPAC4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1ccccc1CNc1nc(NC)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-3-11-6-4-5-7-12(11)10-18-14-13-8-9-21-15(13)20-16(17-2)19-14/h4-9H,3,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyMFGVRYNQVDFCKY-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.91
Rot. Bonds5

About 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328357) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328357
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1ccccc1CNc1nc(NC)nc2sccc12
InChIInChI=1S/C16H18N4S/c1-3-11-6-4-5-7-12(11)10-18-14-13-8-9-21-15(13)20-16(17-2)19-14/h4-9H,3,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyMFGVRYNQVDFCKY-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine 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

4-N-[(2-bromophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325539
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328163
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424574
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103324325
2-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326941
N-ethyl-2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethanesulfonamide
CID 106343363
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328357) is 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1ccccc1CNc1nc(NC)nc2sccc12.
What is the InChIKey of 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MFGVRYNQVDFCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-11-6-4-5-7-12(11)10-18-14-13-8-9-21-15(13)20-16(17-2)19-14/h4-9H,3,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 298.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).