methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate

C5H4Cl2N4O2 — CID 12803245

IUPACmethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H,8,9,10,11,12)
InChIKeyJACVRPUGLPWTOW-UHFFFAOYSA-N
MW223.02 g/mol
LogP1.36
Rot. Bonds1

About methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate

methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate (PubChem CID 12803245) has the molecular formula C5H4Cl2N4O2 and a molecular weight of 223.02 g/mol. Its IUPAC name is methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
PubChem CID12803245
Molecular FormulaC5H4Cl2N4O2
Molecular Weight223.02 g/mol
Exact Mass221.97
IUPAC Namemethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H,8,9,10,11,12)
InChIKeyJACVRPUGLPWTOW-UHFFFAOYSA-N
XLogP1.36
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15906617
(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 18947511
(4,6-Dimethoxy-1,3,5-triazin-2-yl)urea
CID 21719995
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
CID 70187333
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate;hydrochloride
CID 139617108
methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 141066651
methyl N-(4-amino-6-isocyanato-1,3,5-triazin-2-yl)carbamate
CID 141091023
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 18947510
O-[(4,6-dichloro-1,3,5-triazin-2-yl)carbamoyl] methanethioate
CID 101118318
(4,6-Dichloro-1,3,5-triazin-2-yl)carbamic acid
CID 119093743

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate (CID 12803245) is methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate is COC(=O)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
The InChIKey is JACVRPUGLPWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H,8,9,10,11,12).
What are the key properties of methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate?
methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate has a molecular weight of 223.02 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 12803245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).