ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate

C14H18N4O2S — CID 17419074

IUPACethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncnc3ccsc23)CC1
InChIInChI=1S/C14H18N4O2S/c1-2-20-14(19)18-6-3-10(4-7-18)17-13-12-11(5-8-21-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyFWJGLYBDOUWPSK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.72
Rot. Bonds3

About ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate

ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate (PubChem CID 17419074) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate
PubChem CID17419074
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Nameethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncnc3ccsc23)CC1
InChIInChI=1S/C14H18N4O2S/c1-2-20-14(19)18-6-3-10(4-7-18)17-13-12-11(5-8-21-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17)
InChIKeyFWJGLYBDOUWPSK-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate (CID 17419074) is ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncnc3ccsc23)CC1.
What is the InChIKey of ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate?
The InChIKey is FWJGLYBDOUWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-20-14(19)18-6-3-10(4-7-18)17-13-12-11(5-8-21-12)15-9-16-13/h5,8-10H,2-4,6-7H2,1H3,(H,15,16,17).
What are the key properties of ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate?
ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 17419074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).