ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate

C8H12N4O4 — CID 12803257

IUPACethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H12N4O4/c1-4-16-8(13)11-5-9-6(14-2)12-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13)
InChIKeyNZVUNMBDCGMSTQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.46
Rot. Bonds4

About ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate

ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (PubChem CID 12803257) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
PubChem CID12803257
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Nameethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H12N4O4/c1-4-16-8(13)11-5-9-6(14-2)12-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13)
InChIKeyNZVUNMBDCGMSTQ-UHFFFAOYSA-N
XLogP0.46
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
Urea, N-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-
CID 146679233
ethyl N-[4,6-bis(ethoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11142409
butyl N-[4,6-bis(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11384776
methyl N-[4,6-bis(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11394993
butyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11416586
butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 12040688
ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
CID 12803246
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
butyl N-[4-(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15483776
butyl N-(1,3,5-triazin-2-yl)carbamate
CID 15483777
butyl N-[4-amino-6-(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15510138

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (CID 12803257) is ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate is CCOC(=O)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The InChIKey is NZVUNMBDCGMSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-4-16-8(13)11-5-9-6(14-2)12-7(10-5)15-3/h4H2,1-3H3,(H,9,10,11,12,13).
What are the key properties of ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate has a molecular weight of 228.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 12803257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).