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

C18H26N4O3 — CID 92886966

IUPACethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NC[C@@H]3CCCN3CC)c12
InChIInChI=1S/C18H26N4O3/c1-5-22-9-7-8-13(22)10-19-16-15-14(18(23)24-6-2)11(3)25-17(15)21-12(4)20-16/h13H,5-10H2,1-4H3,(H,19,20,21)/t13-/m0/s1
InChIKeyVDKNXBSWPCXMAC-ZDUSSCGKSA-N
MW346.43 g/mol
LogP2.91
Rot. Bonds6

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

ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 92886966) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID92886966
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NC[C@@H]3CCCN3CC)c12
InChIInChI=1S/C18H26N4O3/c1-5-22-9-7-8-13(22)10-19-16-15-14(18(23)24-6-2)11(3)25-17(15)21-12(4)20-16/h13H,5-10H2,1-4H3,(H,19,20,21)/t13-/m0/s1
InChIKeyVDKNXBSWPCXMAC-ZDUSSCGKSA-N
XLogP2.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 45106690
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924871
ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925039
ethyl 6-methyl-4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20924937
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 46280360
ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925050
ethyl 4-[3-[benzyl(butyl)amino]propylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925092
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
ethyl 6-methyl-4-oxo-2-[[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate
CID 51964683

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (CID 92886966) is ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(NC[C@@H]3CCCN3CC)c12.
What is the InChIKey of ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VDKNXBSWPCXMAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-5-22-9-7-8-13(22)10-19-16-15-14(18(23)24-6-2)11(3)25-17(15)21-12(4)20-16/h13H,5-10H2,1-4H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 92886966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).