ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate

C17H18N4O3 — CID 20924992

IUPACethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NCc3ccccn3)c12
InChIInChI=1S/C17H18N4O3/c1-4-23-17(22)13-10(2)24-16-14(13)15(20-11(3)21-16)19-9-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyMOAZATXCYKDKLP-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate

ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924992) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924992
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NCc3ccccn3)c12
InChIInChI=1S/C17H18N4O3/c1-4-23-17(22)13-10(2)24-16-14(13)15(20-11(3)21-16)19-9-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20,21)
InChIKeyMOAZATXCYKDKLP-UHFFFAOYSA-N
XLogP3.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925039
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
N-ethyl-6-methyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxamide
CID 118264766
ethyl 4-[3-[benzyl(butyl)amino]propylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925092
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
2-N,2-N,6-trimethyl-5-phenyl-4-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-2,4-diamine
CID 154078899
ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 92886966
ethyl 2-(pyridin-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 80567880
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 45106690
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 23764717
ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925050

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate (CID 20924992) is ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(NCc3ccccn3)c12.
What is the InChIKey of ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is MOAZATXCYKDKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-23-17(22)13-10(2)24-16-14(13)15(20-11(3)21-16)19-9-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).