ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate

C24H24N4O4 — CID 139560051

IUPACethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2
InChIInChI=1S/C24H24N4O4/c1-2-32-21(29)11-16-7-3-4-9-19(16)27-24(30)23-26-20-14-31-13-18(20)22(28-23)17-8-5-6-15(10-17)12-25/h3-10H,2,11-14,25H2,1H3,(H,27,30)
InChIKeyCYGNZVHFMOPAJL-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.99
Rot. Bonds7

About ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate

ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate (PubChem CID 139560051) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
PubChem CID139560051
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Nameethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2
InChIInChI=1S/C24H24N4O4/c1-2-32-21(29)11-16-7-3-4-9-19(16)27-24(30)23-26-20-14-31-13-18(20)22(28-23)17-8-5-6-15(10-17)12-25/h3-10H,2,11-14,25H2,1H3,(H,27,30)
InChIKeyCYGNZVHFMOPAJL-UHFFFAOYSA-N
XLogP2.99
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate (CID 139560051) is ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2.
What is the InChIKey of ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The InChIKey is CYGNZVHFMOPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-2-32-21(29)11-16-7-3-4-9-19(16)27-24(30)23-26-20-14-31-13-18(20)22(28-23)17-8-5-6-15(10-17)12-25/h3-10H,2,11-14,25H2,1H3,(H,27,30).
What are the key properties of ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate has a molecular weight of 432.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 139560051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).