N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C26H25N5OS — CID 146396039

IUPACN-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H25N5OS/c1-17-9-11-19(12-10-17)23-21(18-7-5-4-6-8-18)22-25(27-13-14-32-3)29-24(30-26(22)33-23)20-15-31(2)16-28-20/h4-12,15-16H,13-14H2,1-3H3,(H,27,29,30)
InChIKeyCIENVBXSPBSFRG-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.79
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 146396039) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID146396039
Molecular FormulaC26H25N5OS
Molecular Weight455.59 g/mol
Exact Mass455.18
IUPAC NameN-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H25N5OS/c1-17-9-11-19(12-10-17)23-21(18-7-5-4-6-8-18)22-25(27-13-14-32-3)29-24(30-26(22)33-23)20-15-31(2)16-28-20/h4-12,15-16H,13-14H2,1-3H3,(H,27,29,30)
InChIKeyCIENVBXSPBSFRG-UHFFFAOYSA-N
XLogP5.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ikk-IN-3
CID 10215156
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
2-[(2-{[4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)amino]ethan-1-ol
CID 25263293
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]formamide
CID 25093442
Ikk-IN-4
CID 25093448
N-[2-(Morpholin-4-Yl)ethyl]-6-(8-Phenyl-1h-Imidazo[4,5-C][1,7]naphthyridin-1-Yl)-1,3-Benzothiazol-2-Amine
CID 121493969
6-Benzyl-2-pyrazin-2-yl-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274324

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 146396039) is N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccc(C)cc3)c(-c3ccccc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CIENVBXSPBSFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-17-9-11-19(12-10-17)23-21(18-7-5-4-6-8-18)22-25(27-13-14-32-3)29-24(30-26(22)33-23)20-15-31(2)16-28-20/h4-12,15-16H,13-14H2,1-3H3,(H,27,29,30).
What are the key properties of N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 455.59 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-6-(4-methylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146396039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).