ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate

C20H24N4O3 — CID 17423851

IUPACethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3C)nc(N)c12
InChIInChI=1S/C20H24N4O3/c1-5-26-20(25)16-13(3)27-19-17(16)18(21)22-15(23-19)11-24(4)10-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3,(H2,21,22,23)
InChIKeyCWPRAALWWIDYMF-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.23
Rot. Bonds6

About ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 17423851) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID17423851
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3C)nc(N)c12
InChIInChI=1S/C20H24N4O3/c1-5-26-20(25)16-13(3)27-19-17(16)18(21)22-15(23-19)11-24(4)10-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3,(H2,21,22,23)
InChIKeyCWPRAALWWIDYMF-UHFFFAOYSA-N
XLogP3.23
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-6-methyl-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16580384
ethyl 4-amino-6-methyl-2-(quinolin-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-5-carboxylate
CID 40658830
ethyl 4-amino-6-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 51174013
ethyl 4-amino-2-[(2,5-dichlorophenyl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 46675464
ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27011384
ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
CID 24507547
ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 37178342
ethyl 4-amino-6-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 42020847
ethyl 4-amino-6-methyl-2-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55479564
ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55569452
ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16592702

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 17423851) is ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccccc3C)nc(N)c12.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is CWPRAALWWIDYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-26-20(25)16-13(3)27-19-17(16)18(21)22-15(23-19)11-24(4)10-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3,(H2,21,22,23).
What are the key properties of ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 17423851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).