N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C23H24N4S — CID 4843023

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ncnc2sc(-c3ccccc3)cc12)c1cccc(C)c1
InChIInChI=1S/C23H24N4S/c1-3-27(19-11-7-8-17(2)14-19)13-12-24-22-20-15-21(18-9-5-4-6-10-18)28-23(20)26-16-25-22/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,25,26)
InChIKeyXHHMBDKDCQMHPJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.61
Rot. Bonds7

About N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 4843023) has the molecular formula C23H24N4S and a molecular weight of 388.54 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID4843023
Molecular FormulaC23H24N4S
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNc1ncnc2sc(-c3ccccc3)cc12)c1cccc(C)c1
InChIInChI=1S/C23H24N4S/c1-3-27(19-11-7-8-17(2)14-19)13-12-24-22-20-15-21(18-9-5-4-6-10-18)28-23(20)26-16-25-22/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,25,26)
InChIKeyXHHMBDKDCQMHPJ-UHFFFAOYSA-N
XLogP5.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(N-ethyl-3-methylanilino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407866
ethyl 3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 47081244
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
6-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 167844466
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 167932232
N-(2,2-dimethoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4783172
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133367589
N-cyclohexyl-N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 4830117
N-benzyl-N-phenyl-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39082204
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
N-[(2-methoxy-4-pyridinyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 17483718
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 4843023) is N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CCN(CCNc1ncnc2sc(-c3ccccc3)cc12)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is XHHMBDKDCQMHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4S/c1-3-27(19-11-7-8-17(2)14-19)13-12-24-22-20-15-21(18-9-5-4-6-10-18)28-23(20)26-16-25-22/h4-11,14-16H,3,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 388.54 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(6-phenylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 4843023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).