2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride

C13H18ClN3O — CID 159194137

IUPAC2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCl.c1cnc(OC2C3CC4CC(C3)CN2C4)nc1
InChIInChI=1S/C13H17N3O.ClH/c1-2-14-13(15-3-1)17-12-11-5-9-4-10(6-11)8-16(12)7-9;/h1-3,9-12H,4-8H2;1H
InChIKeyDMMGMEHVRPULJI-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.97
Rot. Bonds2

About 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride

2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride (PubChem CID 159194137) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride.

Molecular Properties

Compound Name2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
PubChem CID159194137
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCl.c1cnc(OC2C3CC4CC(C3)CN2C4)nc1
InChIInChI=1S/C13H17N3O.ClH/c1-2-14-13(15-3-1)17-12-11-5-9-4-10(6-11)8-16(12)7-9;/h1-3,9-12H,4-8H2;1H
InChIKeyDMMGMEHVRPULJI-UHFFFAOYSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The IUPAC name of 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride (CID 159194137) is 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride.
What is the SMILES notation for 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The canonical SMILES for 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride is Cl.c1cnc(OC2C3CC4CC(C3)CN2C4)nc1.
What is the InChIKey of 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The InChIKey is DMMGMEHVRPULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-2-14-13(15-3-1)17-12-11-5-9-4-10(6-11)8-16(12)7-9;/h1-3,9-12H,4-8H2;1H.
What are the key properties of 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yloxy-1-azatricyclo[3.3.1.13,7]decane;hydrochloride is sourced from PubChem (CID 159194137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).