N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

C22H26FN3O2S — CID 123380057

IUPACN-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCc1sc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c2c1C
InChIInChI=1S/C22H26FN3O2S/c1-3-27-12-19-14(2)20-21(24-13-25-22(20)29-19)26-17-10-9-15(23)11-18(17)28-16-7-5-4-6-8-16/h9-11,13,16H,3-8,12H2,1-2H3,(H,24,25,26)
InChIKeyUODGSDJOWCVPIB-UHFFFAOYSA-N
MW415.53 g/mol
LogP6.13
Rot. Bonds7

About N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine

N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 123380057) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID123380057
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC NameN-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCc1sc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c2c1C
InChIInChI=1S/C22H26FN3O2S/c1-3-27-12-19-14(2)20-21(24-13-25-22(20)29-19)26-17-10-9-15(23)11-18(17)28-16-7-5-4-6-8-16/h9-11,13,16H,3-8,12H2,1-2H3,(H,24,25,26)
InChIKeyUODGSDJOWCVPIB-UHFFFAOYSA-N
XLogP6.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

ethyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123436766
methyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123463786
N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 123715931
ethyl 4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58421621
ethyl 4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58421501
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421486
methyl 4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 131731623
4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67390263
methyl 4-[4-fluoro-2-[(1S,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 140567670
4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421506
6-ethynyl-N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 89090882
4-[4-fluoro-2-[3-(methylamino)cyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67389956

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 123380057) is N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is CCOCc1sc2ncnc(Nc3ccc(F)cc3OC3CCCCC3)c2c1C.
What is the InChIKey of N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UODGSDJOWCVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-3-27-12-19-14(2)20-21(24-13-25-22(20)29-19)26-17-10-9-15(23)11-18(17)28-16-7-5-4-6-8-16/h9-11,13,16H,3-8,12H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine?
N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 415.53 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-fluorophenyl)-6-(ethoxymethyl)-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 123380057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).