(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate

C28H30N6O3 — CID 68898673

IUPAC(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
SMILESCc1ncnc(C)c1OC(=O)NCc1ccc(CN(Cc2cnco2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C28H30N6O3/c1-19-27(20(2)33-17-32-19)37-28(35)31-13-21-8-10-22(11-9-21)15-34(16-24-14-29-18-36-24)25-7-3-5-23-6-4-12-30-26(23)25/h4,6,8-12,14,17-18,25H,3,5,7,13,15-16H2,1-2H3,(H,31,35)
InChIKeyDPUFLUTYNZVMMA-UHFFFAOYSA-N
MW498.59 g/mol
LogP4.84
Rot. Bonds8

About (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate

(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 68898673) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
PubChem CID68898673
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
SMILESCc1ncnc(C)c1OC(=O)NCc1ccc(CN(Cc2cnco2)C2CCCc3cccnc32)cc1
InChIInChI=1S/C28H30N6O3/c1-19-27(20(2)33-17-32-19)37-28(35)31-13-21-8-10-22(11-9-21)15-34(16-24-14-29-18-36-24)25-7-3-5-23-6-4-12-30-26(23)25/h4,6,8-12,14,17-18,25H,3,5,7,13,15-16H2,1-2H3,(H,31,35)
InChIKeyDPUFLUTYNZVMMA-UHFFFAOYSA-N
XLogP4.84
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-dimethylpyrimidine-5-carboxylic acid;4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzamide
CID 161334254
(4,6-dimethylpyrimidin-5-yl) N-[[3-[[(2-methyl-1H-imidazol-5-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate
CID 68897319
2,4-dimethyl-N-[[4-[[2-(1,3-oxazol-5-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 22601488
3,5-dichloro-N-[[4-[[(5-methyl-1,3-oxazol-2-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 68898250
3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10280786
3,5-dichloro-N-[[4-[[(5-methyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 10208892
3-chloro-N-[[4-[[2-(2-methyl-1,3-oxazol-5-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 150877709
2,4-dimethyl-N-[[4-[[5,6,7,8-tetrahydroquinolin-8-yl-[2-(1,3-thiazol-5-yl)ethyl]amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 22601477
3-chloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 151581798
N-[[4-[[2-(1H-imidazol-2-yl)ethyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2,4-dimethylpyridine-3-carboxamide
CID 22601324
3-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 135313956
3-chloro-N-[[4-[[3H-pyrrol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
CID 174403499

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate (CID 68898673) is (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate is Cc1ncnc(C)c1OC(=O)NCc1ccc(CN(Cc2cnco2)C2CCCc3cccnc32)cc1.
What is the InChIKey of (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is DPUFLUTYNZVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-19-27(20(2)33-17-32-19)37-28(35)31-13-21-8-10-22(11-9-21)15-34(16-24-14-29-18-36-24)25-7-3-5-23-6-4-12-30-26(23)25/h4,6,8-12,14,17-18,25H,3,5,7,13,15-16H2,1-2H3,(H,31,35).
What are the key properties of (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate?
(4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 498.59 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-5-yl) N-[[4-[[1,3-oxazol-5-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 68898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).