tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate

C27H34N6O3 — CID 90100853

IUPACtert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc(N3CCOC(Cc4ccccc4)C3)nc3cnccc23)C1
InChIInChI=1S/C27H34N6O3/c1-27(2,3)36-26(34)33-12-10-20(17-33)29-24-22-9-11-28-16-23(22)30-25(31-24)32-13-14-35-21(18-32)15-19-7-5-4-6-8-19/h4-9,11,16,20-21H,10,12-15,17-18H2,1-3H3,(H,29,30,31)
InChIKeySLOHWRKXROKERU-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.89
Rot. Bonds5

About tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate (PubChem CID 90100853) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
PubChem CID90100853
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Nametert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2nc(N3CCOC(Cc4ccccc4)C3)nc3cnccc23)C1
InChIInChI=1S/C27H34N6O3/c1-27(2,3)36-26(34)33-12-10-20(17-33)29-24-22-9-11-28-16-23(22)30-25(31-24)32-13-14-35-21(18-32)15-19-7-5-4-6-8-19/h4-9,11,16,20-21H,10,12-15,17-18H2,1-3H3,(H,29,30,31)
InChIKeySLOHWRKXROKERU-UHFFFAOYSA-N
XLogP3.89
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098882
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tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl (3S)-3-(2-pyridin-3-ylethylcarbamoylamino)pyrrolidine-1-carboxylate
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tert-butyl (3S)-3-[(4-chlorophthalazin-1-yl)amino]pyrrolidine-1-carboxylate
CID 169259251
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
4-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]-1,6-naphthyridin-2-yl]benzoic acid
CID 142467377
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
tert-butyl 3-[(8-phenylmethoxyquinolin-5-yl)amino]pyrrolidine-1-carboxylate
CID 175301037
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate (CID 90100853) is tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2nc(N3CCOC(Cc4ccccc4)C3)nc3cnccc23)C1.
What is the InChIKey of tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
The InChIKey is SLOHWRKXROKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-27(2,3)36-26(34)33-12-10-20(17-33)29-24-22-9-11-28-16-23(22)30-25(31-24)32-13-14-35-21(18-32)15-19-7-5-4-6-8-19/h4-9,11,16,20-21H,10,12-15,17-18H2,1-3H3,(H,29,30,31).
What are the key properties of tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate has a molecular weight of 490.61 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 90100853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).