2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine

C12H18N8O — CID 175549085

IUPAC2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(N)nc(N2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C12H18N8O/c1-21-5-3-14-11-17-10(13)18-12(19-11)20-4-2-8-9(6-20)16-7-15-8/h7H,2-6H2,1H3,(H,15,16)(H3,13,14,17,18,19)
InChIKeyRCRFIDFNGZSJFO-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.20
Rot. Bonds5

About 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175549085) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175549085
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCNc1nc(N)nc(N2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C12H18N8O/c1-21-5-3-14-11-17-10(13)18-12(19-11)20-4-2-8-9(6-20)16-7-15-8/h7H,2-6H2,1H3,(H,15,16)(H3,13,14,17,18,19)
InChIKeyRCRFIDFNGZSJFO-UHFFFAOYSA-N
XLogP-0.20
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine (CID 175549085) is 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine is COCCNc1nc(N)nc(N2CCc3nc[nH]c3C2)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RCRFIDFNGZSJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-21-5-3-14-11-17-10(13)18-12(19-11)20-4-2-8-9(6-20)16-7-15-8/h7H,2-6H2,1H3,(H,15,16)(H3,13,14,17,18,19).
What are the key properties of 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175549085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).