1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide

C17H24N4O2S — CID 78855921

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCC(C)O)CC3)c2c1C
InChIInChI=1S/C17H24N4O2S/c1-10(22)8-18-16(23)13-4-6-21(7-5-13)15-14-11(2)12(3)24-17(14)20-9-19-15/h9-10,13,22H,4-8H2,1-3H3,(H,18,23)
InChIKeyMYPYPICTKIHNBA-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.02
Rot. Bonds4

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 78855921) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
PubChem CID78855921
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NCC(C)O)CC3)c2c1C
InChIInChI=1S/C17H24N4O2S/c1-10(22)8-18-16(23)13-4-6-21(7-5-13)15-14-11(2)12(3)24-17(14)20-9-19-15/h9-10,13,22H,4-8H2,1-3H3,(H,18,23)
InChIKeyMYPYPICTKIHNBA-UHFFFAOYSA-N
XLogP2.02
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide (CID 78855921) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NCC(C)O)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is MYPYPICTKIHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10(22)8-18-16(23)13-4-6-21(7-5-13)15-14-11(2)12(3)24-17(14)20-9-19-15/h9-10,13,22H,4-8H2,1-3H3,(H,18,23).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 78855921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).