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

C6H8N4O3 — CID 19693853

IUPAC(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(C)nc(NC(=O)O)n1
InChIInChI=1S/C6H8N4O3/c1-3-7-4(10-6(11)12)9-5(8-3)13-2/h1-2H3,(H,11,12)(H,7,8,9,10)
InChIKeyWEAHDCKRWCXVPC-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.28
Rot. Bonds2

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

(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid (PubChem CID 19693853) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid.

Molecular Properties

Compound Name(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid
PubChem CID19693853
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid
SMILESCOc1nc(C)nc(NC(=O)O)n1
InChIInChI=1S/C6H8N4O3/c1-3-7-4(10-6(11)12)9-5(8-3)13-2/h1-2H3,(H,11,12)(H,7,8,9,10)
InChIKeyWEAHDCKRWCXVPC-UHFFFAOYSA-N
XLogP0.28
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid?
The IUPAC name of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid (CID 19693853) is (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid.
What is the SMILES notation for (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid?
The canonical SMILES for (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid is COc1nc(C)nc(NC(=O)O)n1.
What is the InChIKey of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid?
The InChIKey is WEAHDCKRWCXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3-7-4(10-6(11)12)9-5(8-3)13-2/h1-2H3,(H,11,12)(H,7,8,9,10).
What are the key properties of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid?
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid has a molecular weight of 184.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamic acid is sourced from PubChem (CID 19693853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).