(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid

C6H8N4O4 — CID 18947511

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(NC(=O)O)nc(OC)n1
InChIInChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10)
InChIKeyDIHAVNCJGRISFT-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.02
Rot. Bonds3

About (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid

(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid (PubChem CID 18947511) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
PubChem CID18947511
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(NC(=O)O)nc(OC)n1
InChIInChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10)
InChIKeyDIHAVNCJGRISFT-UHFFFAOYSA-N
XLogP-0.02
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Melamine carbamate
CID 66589829
methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
CID 12803245
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803257
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15906617
[4,6-Bis(carboxyamino)-1,3,5-triazin-2-yl]carbamic acid
CID 21202880
(4,6-Diamino-1,3,5-triazin-2-yl)carbamic acid
CID 21493768
(4,6-Dimethoxy-1,3,5-triazin-2-yl)urea
CID 21719995
methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 59582238
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 59582246
ethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 68615200
methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methoxycarbonylcarbamate
CID 68722169

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid (CID 18947511) is (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid is COc1nc(NC(=O)O)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is DIHAVNCJGRISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10).
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid?
(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 200.15 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 18947511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).