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

C26H30N4O4 — CID 153350433

IUPACethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
SMILESCC.CCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2
InChIInChI=1S/C24H24N4O4.C2H6/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;1-2/h3-10H,2,11-14,25H2,1H3,(H,27,30);1-2H3
InChIKeyAYUADDKIHSUUMY-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.02
Rot. Bonds7

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

ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate (PubChem CID 153350433) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
PubChem CID153350433
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nameethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate
SMILESCC.CCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2
InChIInChI=1S/C24H24N4O4.C2H6/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;1-2/h3-10H,2,11-14,25H2,1H3,(H,27,30);1-2H3
InChIKeyAYUADDKIHSUUMY-UHFFFAOYSA-N
XLogP4.02
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;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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Related Compounds

Ethyl 2-[(4-methylphenyl)methylcarbamoyl]quinazoline-4-carboxylate
CID 44144300
2-[4-[(2-Phenyl-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl)amino]phenyl]acetic acid
CID 71624959
2-[2-[[2-[3-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carbonyl]amino]phenyl]acetic acid
CID 139560408
methyl 2-[2-[[2-[3-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carbonyl]amino]phenyl]acetate
CID 139561064
2-[2-[[4-[3-(Aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid
CID 139560606
Methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 58686772
[2-[2-Amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-4-fluorophenyl]methyl 2-(methylamino)acetate
CID 68078352
[2-[2-Amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]-4-fluorophenyl]methyl 2-formamido-2-methylpropanoate
CID 144355032
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]-2-ethylphenyl]cyclopentanecarboxamide
CID 11419444
Methyl 2-(6-(2-(dimethylamino)ethylamino)-2-phenylpyrimidine-4-carboxamido)benzoate
CID 25256253
[2-[2-Amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]methyl 2-(dimethylamino)acetate
CID 56944455
[2-[2-Amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]methyl 2-(methylamino)acetate
CID 66837547

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate (CID 153350433) is ethane;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 ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate is CC.CCOC(=O)Cc1ccccc1NC(=O)c1nc2c(c(-c3cccc(CN)c3)n1)COC2.
What is the InChIKey of ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
The InChIKey is AYUADDKIHSUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4.C2H6/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;1-2/h3-10H,2,11-14,25H2,1H3,(H,27,30);1-2H3.
What are the key properties of ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate?
ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate has a molecular weight of 462.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyrimidine-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 153350433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).