ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide

C22H30FN5O2S — CID 143948173

IUPACethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide
SMILESCC.Cc1sc2ncnc(Nc3ccc(F)cc3OC3CCNCC3)c2c1C.NC=O
InChIInChI=1S/C19H21FN4OS.C2H6.CH3NO/c1-11-12(2)26-19-17(11)18(22-10-23-19)24-15-4-3-13(20)9-16(15)25-14-5-7-21-8-6-14;1-2;2-1-3/h3-4,9-10,14,21H,5-8H2,1-2H3,(H,22,23,24);1-2H3;1H,(H2,2,3)
InChIKeyYEMGXBVKIOZMRR-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.45
Rot. Bonds4

About ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide

ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide (PubChem CID 143948173) has the molecular formula C22H30FN5O2S and a molecular weight of 447.58 g/mol. Its IUPAC name is ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide.

Molecular Properties

Compound Nameethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide
PubChem CID143948173
Molecular FormulaC22H30FN5O2S
Molecular Weight447.58 g/mol
Exact Mass447.21
IUPAC Nameethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide
SMILESCC.Cc1sc2ncnc(Nc3ccc(F)cc3OC3CCNCC3)c2c1C.NC=O
InChIInChI=1S/C19H21FN4OS.C2H6.CH3NO/c1-11-12(2)26-19-17(11)18(22-10-23-19)24-15-4-3-13(20)9-16(15)25-14-5-7-21-8-6-14;1-2;2-1-3/h3-4,9-10,14,21H,5-8H2,1-2H3,(H,22,23,24);1-2H3;1H,(H2,2,3)
InChIKeyYEMGXBVKIOZMRR-UHFFFAOYSA-N
XLogP4.45
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide with MolForge

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Related Compounds

4-[4-fluoro-2-[(3S)-pyrrolidin-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 67395280
methyl 4-[4-fluoro-2-[(3R)-pyrrolidin-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413134
4-[4-fluoro-2-[(1S,3S)-3-hydroxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67390263
4-[4-fluoro-2-[3-(methylamino)cyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 67389956
4-[4-fluoro-2-(4-hydroxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 58421486
methyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123463786
ethyl 4-(2-cyclohexyloxy-4-fluoroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 123436766
ethyl 4-[4-fluoro-2-(4-methoxycyclohexyl)oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58421501
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
ethyl 4-[4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58421621

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide?
The IUPAC name of ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide (CID 143948173) is ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide.
What is the SMILES notation for ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide?
The canonical SMILES for ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide is CC.Cc1sc2ncnc(Nc3ccc(F)cc3OC3CCNCC3)c2c1C.NC=O.
What is the InChIKey of ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide?
The InChIKey is YEMGXBVKIOZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS.C2H6.CH3NO/c1-11-12(2)26-19-17(11)18(22-10-23-19)24-15-4-3-13(20)9-16(15)25-14-5-7-21-8-6-14;1-2;2-1-3/h3-4,9-10,14,21H,5-8H2,1-2H3,(H,22,23,24);1-2H3;1H,(H2,2,3).
What are the key properties of ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide?
ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide has a molecular weight of 447.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-fluoro-2-piperidin-4-yloxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine;formamide is sourced from PubChem (CID 143948173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).