tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate

C22H30N4O6 — CID 101235473

IUPACtert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate
SMILESCN(C(=O)OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C(N2CCOCC2)=NC1=O
InChIInChI=1S/C22H30N4O6/c1-22(2,3)32-21(29)26-14-17(18(27)23-19(26)25-10-12-30-13-11-25)24(4)20(28)31-15-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3
InChIKeyVIFQIOZZELQZCY-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate

tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate (PubChem CID 101235473) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate
PubChem CID101235473
Molecular FormulaC22H30N4O6
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Nametert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate
SMILESCN(C(=O)OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C(N2CCOCC2)=NC1=O
InChIInChI=1S/C22H30N4O6/c1-22(2,3)32-21(29)26-14-17(18(27)23-19(26)25-10-12-30-13-11-25)24(4)20(28)31-15-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3
InChIKeyVIFQIOZZELQZCY-UHFFFAOYSA-N
XLogP2.09
TPSA100.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-3-methyl-2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopyrrolidin-1-yl]butanoate
CID 151769668
tert-butyl (3R,4R)-3-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 178194691
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163274863
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 11290557
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467
tert-butyl 6-oxo-9-(2-oxo-2-phenylmethoxyethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate
CID 146206836
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
3-O-benzyl 1-O-tert-butyl 4-amino-5-oxopyrrolidine-1,3-dicarboxylate
CID 150984275
benzyl (2S)-2-methyl-8-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 170625492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate?
The IUPAC name of tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate (CID 101235473) is tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate?
The canonical SMILES for tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate is CN(C(=O)OCc1ccccc1)C1CN(C(=O)OC(C)(C)C)C(N2CCOCC2)=NC1=O.
What is the InChIKey of tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate?
The InChIKey is VIFQIOZZELQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6/c1-22(2,3)32-21(29)26-14-17(18(27)23-19(26)25-10-12-30-13-11-25)24(4)20(28)31-15-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3.
What are the key properties of tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate?
tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate has a molecular weight of 446.50 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[methyl(phenylmethoxycarbonyl)amino]-2-morpholin-4-yl-6-oxo-4,5-dihydropyrimidine-3-carboxylate is sourced from PubChem (CID 101235473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).