ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

C19H19N3O3 — CID 20925050

IUPACethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(N3CCc4ccccc43)c12
InChIInChI=1S/C19H19N3O3/c1-4-24-19(23)15-11(2)25-18-16(15)17(20-12(3)21-18)22-10-9-13-7-5-6-8-14(13)22/h5-8H,4,9-10H2,1-3H3
InChIKeyMBFDJFNGGIUOHR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.71
Rot. Bonds3

About ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20925050) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20925050
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(N3CCc4ccccc43)c12
InChIInChI=1S/C19H19N3O3/c1-4-24-19(23)15-11(2)25-18-16(15)17(20-12(3)21-18)22-10-9-13-7-5-6-8-14(13)22/h5-8H,4,9-10H2,1-3H3
InChIKeyMBFDJFNGGIUOHR-UHFFFAOYSA-N
XLogP3.71
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
ethyl 2-anilino-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 52940806
ethyl 7-(2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxylate
CID 135390242
ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
CID 20924992
ethyl 2-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877285
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925039
ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 92886966
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 45106690
ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 17423851
ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
CID 80567840
ethyl 4-amino-6-methyl-2-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55479564

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20925050) is ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(N3CCc4ccccc43)c12.
What is the InChIKey of ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is MBFDJFNGGIUOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-24-19(23)15-11(2)25-18-16(15)17(20-12(3)21-18)22-10-9-13-7-5-6-8-14(13)22/h5-8H,4,9-10H2,1-3H3.
What are the key properties of ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20925050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).