1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

C17H26N4O2S — CID 133406532

IUPAC1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCCc1cc2c(NC3CCN(CC(O)COC)CC3)ncnc2s1
InChIInChI=1S/C17H26N4O2S/c1-3-14-8-15-16(18-11-19-17(15)24-14)20-12-4-6-21(7-5-12)9-13(22)10-23-2/h8,11-13,22H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyVKDHEBWJWBBASR-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.14
Rot. Bonds7

About 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol

1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 133406532) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID133406532
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol
SMILESCCc1cc2c(NC3CCN(CC(O)COC)CC3)ncnc2s1
InChIInChI=1S/C17H26N4O2S/c1-3-14-8-15-16(18-11-19-17(15)24-14)20-12-4-6-21(7-5-12)9-13(22)10-23-2/h8,11-13,22H,3-7,9-10H2,1-2H3,(H,18,19,20)
InChIKeyVKDHEBWJWBBASR-UHFFFAOYSA-N
XLogP2.14
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
CID 133406522
6-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399232
6-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133408683
6-ethyl-N-(1-phenylpyrrolidin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133292367
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 61233127
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133282185
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
bis(N-[1-[1-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-6-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine);ethanol;propane;dihydrochloride
CID 159017325
1-[(2S)-2-[4-(1-hydroxy-2-methoxyethyl)piperazin-1-yl]propyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 134594754
N-cyclooctyl-6-[2-[ethyl(2-methoxyethyl)amino]ethoxymethyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 139931108
N-cyclopentyl-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084937
N-(1-ethylsulfonylpiperidin-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408749

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol (CID 133406532) is 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is CCc1cc2c(NC3CCN(CC(O)COC)CC3)ncnc2s1.
What is the InChIKey of 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is VKDHEBWJWBBASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-3-14-8-15-16(18-11-19-17(15)24-14)20-12-4-6-21(7-5-12)9-13(22)10-23-2/h8,11-13,22H,3-7,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol?
1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 350.49 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 133406532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).