[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide

C8H12N6O — CID 22299268

IUPAC[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
SMILESCOc1nc(CNC#N)nc(N(C)C)n1
InChIInChI=1S/C8H12N6O/c1-14(2)7-11-6(4-10-5-9)12-8(13-7)15-3/h10H,4H2,1-3H3
InChIKeyLPQRLIGGPSAQPA-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.48
Rot. Bonds4

About [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide

[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide (PubChem CID 22299268) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide.

Molecular Properties

Compound Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
PubChem CID22299268
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
SMILESCOc1nc(CNC#N)nc(N(C)C)n1
InChIInChI=1S/C8H12N6O/c1-14(2)7-11-6(4-10-5-9)12-8(13-7)15-3/h10H,4H2,1-3H3
InChIKeyLPQRLIGGPSAQPA-UHFFFAOYSA-N
XLogP-0.48
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide?
The IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide (CID 22299268) is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide.
What is the SMILES notation for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide?
The canonical SMILES for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide is COc1nc(CNC#N)nc(N(C)C)n1.
What is the InChIKey of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide?
The InChIKey is LPQRLIGGPSAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-14(2)7-11-6(4-10-5-9)12-8(13-7)15-3/h10H,4H2,1-3H3.
What are the key properties of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide?
[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide has a molecular weight of 208.22 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide is sourced from PubChem (CID 22299268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).