ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate

C17H19N3O3 — CID 133406905

IUPACethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
SMILESCCOC(=O)CCC(C)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H19N3O3/c1-3-22-14(21)9-8-11(2)20-17-16-15(18-10-19-17)12-6-4-5-7-13(12)23-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyQBMXDLQTXFOSBB-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.52
Rot. Bonds6

About ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate

ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate (PubChem CID 133406905) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
PubChem CID133406905
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate
SMILESCCOC(=O)CCC(C)Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H19N3O3/c1-3-22-14(21)9-8-11(2)20-17-16-15(18-10-19-17)12-6-4-5-7-13(12)23-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyQBMXDLQTXFOSBB-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-methylbutan-1-ol
CID 133337888
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133293036
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-3-phenylpropanoate
CID 6949779
N-[(1R)-1-pyridin-2-ylethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 41194411
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-2-(4-chlorophenyl)ethanol
CID 133445052
ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1,3-thiazol-4-yl]acetate
CID 34039953
ethyl 2-(10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl)acetate
CID 11462091
methyl 2-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]-3-(4-hydroxyphenyl)propanoate
CID 133312850
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546749

Frequently Asked Questions

What is the IUPAC name of ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate?
The IUPAC name of ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate (CID 133406905) is ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate.
What is the SMILES notation for ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate?
The canonical SMILES for ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate is CCOC(=O)CCC(C)Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate?
The InChIKey is QBMXDLQTXFOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-22-14(21)9-8-11(2)20-17-16-15(18-10-19-17)12-6-4-5-7-13(12)23-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate?
ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate has a molecular weight of 313.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanoate is sourced from PubChem (CID 133406905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).