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

C6H9N5O2 — CID 15278233

IUPAC(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12)
InChIKeyNEVDMPLXCGERDI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.32
Rot. Bonds2

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

(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (PubChem CID 15278233) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
PubChem CID15278233
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
SMILESCOc1nc(C)nc(NC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12)
InChIKeyNEVDMPLXCGERDI-UHFFFAOYSA-N
XLogP-0.32
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.32
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)urea?
The IUPAC name of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (CID 15278233) is (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea is COc1nc(C)nc(NC(N)=O)n1.
What is the InChIKey of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
The InChIKey is NEVDMPLXCGERDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-3-8-5(10-4(7)12)11-6(9-3)13-2/h1-2H3,(H3,7,8,9,10,11,12).
What are the key properties of (4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea?
(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea has a molecular weight of 183.17 g/mol, XLogP of -0.32, 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)urea is sourced from PubChem (CID 15278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).