1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine

C16H19N7O — CID 54583917

IUPAC1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(NC3CCOCC3)nc3ccccc32)n1
InChIInChI=1S/C16H19N7O/c1-10-18-14(17)22-15(19-10)23-13-5-3-2-4-12(13)21-16(23)20-11-6-8-24-9-7-11/h2-5,11H,6-9H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyRYLZKJJWQWEHSZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine (PubChem CID 54583917) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine
PubChem CID54583917
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine
SMILESCc1nc(N)nc(-n2c(NC3CCOCC3)nc3ccccc32)n1
InChIInChI=1S/C16H19N7O/c1-10-18-14(17)22-15(19-10)23-13-5-3-2-4-12(13)21-16(23)20-11-6-8-24-9-7-11/h2-5,11H,6-9H2,1H3,(H,20,21)(H2,17,18,19,22)
InChIKeyRYLZKJJWQWEHSZ-UHFFFAOYSA-N
XLogP1.69
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine (CID 54583917) is 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine is Cc1nc(N)nc(-n2c(NC3CCOCC3)nc3ccccc32)n1.
What is the InChIKey of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine?
The InChIKey is RYLZKJJWQWEHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-10-18-14(17)22-15(19-10)23-13-5-3-2-4-12(13)21-16(23)20-11-6-8-24-9-7-11/h2-5,11H,6-9H2,1H3,(H,20,21)(H2,17,18,19,22).
What are the key properties of 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine?
1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine has a molecular weight of 325.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(oxan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 54583917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).