2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine

C10H19N7O2 — CID 56636600

IUPAC2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine
SMILESCCN(CC)c1nc(N=C(N)NOC)nc(OC)n1
InChIInChI=1S/C10H19N7O2/c1-5-17(6-2)9-13-8(12-7(11)16-19-4)14-10(15-9)18-3/h5-6H2,1-4H3,(H3,11,12,13,14,15,16)
InChIKeyNFZHJWOTJCGPEI-UHFFFAOYSA-N
MW269.31 g/mol
LogP-0.18
Rot. Bonds6

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

2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine (PubChem CID 56636600) has the molecular formula C10H19N7O2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine.

Molecular Properties

Compound Name2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine
PubChem CID56636600
Molecular FormulaC10H19N7O2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine
SMILESCCN(CC)c1nc(N=C(N)NOC)nc(OC)n1
InChIInChI=1S/C10H19N7O2/c1-5-17(6-2)9-13-8(12-7(11)16-19-4)14-10(15-9)18-3/h5-6H2,1-4H3,(H3,11,12,13,14,15,16)
InChIKeyNFZHJWOTJCGPEI-UHFFFAOYSA-N
XLogP-0.18
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
CID 19911828
2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
CID 18523914
1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine
CID 56636144
2-(2,6-dimethoxypyrimidin-4-yl)-1-methoxyguanidine
CID 21293848
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708
2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 102998962
2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 115354893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The IUPAC name of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine (CID 56636600) is 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine.
What is the SMILES notation for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The canonical SMILES for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine is CCN(CC)c1nc(N=C(N)NOC)nc(OC)n1.
What is the InChIKey of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The InChIKey is NFZHJWOTJCGPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O2/c1-5-17(6-2)9-13-8(12-7(11)16-19-4)14-10(15-9)18-3/h5-6H2,1-4H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine?
2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine has a molecular weight of 269.31 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine is sourced from PubChem (CID 56636600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).