benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate

C20H18N4O3S — CID 59732315

IUPACbenzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
SMILESO=C(NCCNc1nc(-c2ccco2)c2sccc2n1)OCc1ccccc1
InChIInChI=1S/C20H18N4O3S/c25-20(27-13-14-5-2-1-3-6-14)22-10-9-21-19-23-15-8-12-28-18(15)17(24-19)16-7-4-11-26-16/h1-8,11-12H,9-10,13H2,(H,22,25)(H,21,23,24)
InChIKeyWDDVXDNOKPYJRK-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.29
Rot. Bonds7

About benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate

benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate (PubChem CID 59732315) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
PubChem CID59732315
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Namebenzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
SMILESO=C(NCCNc1nc(-c2ccco2)c2sccc2n1)OCc1ccccc1
InChIInChI=1S/C20H18N4O3S/c25-20(27-13-14-5-2-1-3-6-14)22-10-9-21-19-23-15-8-12-28-18(15)17(24-19)16-7-4-11-26-16/h1-8,11-12H,9-10,13H2,(H,22,25)(H,21,23,24)
InChIKeyWDDVXDNOKPYJRK-UHFFFAOYSA-N
XLogP4.29
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
CID 59732373
4-(furan-2-yl)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-amine
CID 59732402
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[2-[[6-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]amino]ethyl]carbamate
CID 155560371
benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
CID 504615
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)acetate
CID 135690627

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate (CID 59732315) is benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate is O=C(NCCNc1nc(-c2ccco2)c2sccc2n1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The InChIKey is WDDVXDNOKPYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c25-20(27-13-14-5-2-1-3-6-14)22-10-9-21-19-23-15-8-12-28-18(15)17(24-19)16-7-4-11-26-16/h1-8,11-12H,9-10,13H2,(H,22,25)(H,21,23,24).
What are the key properties of benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate has a molecular weight of 394.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 59732315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).