4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine

C18H17N7O2 — CID 110158632

IUPAC4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine
SMILESCN(C)c1nc(COc2ccccn2)cc(On2nnc3ccccc32)n1
InChIInChI=1S/C18H17N7O2/c1-24(2)18-20-13(12-26-16-9-5-6-10-19-16)11-17(21-18)27-25-15-8-4-3-7-14(15)22-23-25/h3-11H,12H2,1-2H3
InChIKeyGPNBGVYQETUBNK-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.10
Rot. Bonds6

About 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine

4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine (PubChem CID 110158632) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine
PubChem CID110158632
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine
SMILESCN(C)c1nc(COc2ccccn2)cc(On2nnc3ccccc32)n1
InChIInChI=1S/C18H17N7O2/c1-24(2)18-20-13(12-26-16-9-5-6-10-19-16)11-17(21-18)27-25-15-8-4-3-7-14(15)22-23-25/h3-11H,12H2,1-2H3
InChIKeyGPNBGVYQETUBNK-UHFFFAOYSA-N
XLogP2.10
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine (CID 110158632) is 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine is CN(C)c1nc(COc2ccccn2)cc(On2nnc3ccccc32)n1.
What is the InChIKey of 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine?
The InChIKey is GPNBGVYQETUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-24(2)18-20-13(12-26-16-9-5-6-10-19-16)11-17(21-18)27-25-15-8-4-3-7-14(15)22-23-25/h3-11H,12H2,1-2H3.
What are the key properties of 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine?
4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine has a molecular weight of 363.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yloxy)-N,N-dimethyl-6-(pyridin-2-yloxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 110158632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).