ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate

C17H21F3N4O3 — CID 40954476

IUPACethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H](C(F)(F)F)C3)nc(N)c12
InChIInChI=1S/C17H21F3N4O3/c1-3-26-16(25)12-9(2)27-15-13(12)14(21)22-11(23-15)8-24-6-4-5-10(7-24)17(18,19)20/h10H,3-8H2,1-2H3,(H2,21,22,23)/t10-/m1/s1
InChIKeyDCZBUIYISSRBGM-SNVBAGLBSA-N
MW386.37 g/mol
LogP3.06
Rot. Bonds4

About ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 40954476) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID40954476
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Nameethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H](C(F)(F)F)C3)nc(N)c12
InChIInChI=1S/C17H21F3N4O3/c1-3-26-16(25)12-9(2)27-15-13(12)14(21)22-11(23-15)8-24-6-4-5-10(7-24)17(18,19)20/h10H,3-8H2,1-2H3,(H2,21,22,23)/t10-/m1/s1
InChIKeyDCZBUIYISSRBGM-SNVBAGLBSA-N
XLogP3.06
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-6-methyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55493709
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
CID 17425136
ethyl 2-iodo-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]benzoate
CID 169449794
ethyl 4-amino-2-[(4-chloro-1H-pyrrole-2-carbonyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036602
ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 92886966
ethyl 4-amino-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 46805243
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 55478911
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
ethyl 4-amino-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 17423851
ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27011384
ethyl (E)-4-[3-(trifluoromethyl)piperidin-1-yl]but-2-enoate
CID 80549499

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 40954476) is ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H](C(F)(F)F)C3)nc(N)c12.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is DCZBUIYISSRBGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-3-26-16(25)12-9(2)27-15-13(12)14(21)22-11(23-15)8-24-6-4-5-10(7-24)17(18,19)20/h10H,3-8H2,1-2H3,(H2,21,22,23)/t10-/m1/s1.
What are the key properties of ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 386.37 g/mol, XLogP of 3.06, 4 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-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 40954476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).