2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

C9H17N5O2 — CID 175529696

IUPAC2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(N)nc(CCOC)n1
InChIInChI=1S/C9H17N5O2/c1-15-5-3-7-12-8(10)14-9(13-7)11-4-6-16-2/h3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyPWFPMMUELYDYIV-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.30
Rot. Bonds7

About 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine

2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 175529696) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID175529696
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(N)nc(CCOC)n1
InChIInChI=1S/C9H17N5O2/c1-15-5-3-7-12-8(10)14-9(13-7)11-4-6-16-2/h3-6H2,1-2H3,(H3,10,11,12,13,14)
InChIKeyPWFPMMUELYDYIV-UHFFFAOYSA-N
XLogP-0.30
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine (CID 175529696) is 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is COCCNc1nc(N)nc(CCOC)n1.
What is the InChIKey of 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PWFPMMUELYDYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-15-5-3-7-12-8(10)14-9(13-7)11-4-6-16-2/h3-6H2,1-2H3,(H3,10,11,12,13,14).
What are the key properties of 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine?
2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.27 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175529696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).