phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate

C19H16N4O5 — CID 11440381

IUPACphenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate
SMILESCOc1nc(C)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C19H16N4O5/c1-13-20-16(22-17(21-13)26-2)23(18(24)27-14-9-5-3-6-10-14)19(25)28-15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyLDTBMCKQAMHJRF-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.39
Rot. Bonds4

About phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate

phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate (PubChem CID 11440381) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate
PubChem CID11440381
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Namephenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate
SMILESCOc1nc(C)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1
InChIInChI=1S/C19H16N4O5/c1-13-20-16(22-17(21-13)26-2)23(18(24)27-14-9-5-3-6-10-14)19(25)28-15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyLDTBMCKQAMHJRF-UHFFFAOYSA-N
XLogP3.39
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

phenyl N-(4-chloro-6-methoxypyrimidin-2-yl)-N-phenoxycarbonylcarbamate
CID 46184507
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453
anisole;ethane;propan-2-one
CID 164986667
(4-methoxyphenyl) hydrogen carbonate
CID 19016633
phenyl N-tert-butyl-N-(methylamino)carbamate
CID 174421673
phenoxycarbonylboronic acid
CID 67066980
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
diphenyl oxalate;ethane
CID 162013592
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate?
The IUPAC name of phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate (CID 11440381) is phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate.
What is the SMILES notation for phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate?
The canonical SMILES for phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate is COc1nc(C)nc(N(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate?
The InChIKey is LDTBMCKQAMHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c1-13-20-16(22-17(21-13)26-2)23(18(24)27-14-9-5-3-6-10-14)19(25)28-15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate?
phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate has a molecular weight of 380.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 11440381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).